Molecule FYI-1002257

A

Molecule Summary:

ID: FYI-1002257
Names:
InChIKey: AVYKQOAMZCAHRG-UHFFFAOYSA-N
SMILES: CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC

Received at FYIcenter.com on: 2023-02-12

Molecule ID: FYI-1002257 Edit

Molecule Structure InChIKey: AVYKQOAMZCAHRG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002257
FYIcenter.com

 50 49  0  0  0  0  0  0  0  0999 V2000
   13.4680    7.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2436    7.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2436    5.6551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0193    4.9482    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    9.7949    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5705    4.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3462    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    4.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6731    4.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    5.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    4.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5175    6.1726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9313    3.7238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418    6.8794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1556    6.8794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662    3.7239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800    3.7239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6043    6.8794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    6.8794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8287    3.7239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4149    3.7239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6393    6.8794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0531    6.8794    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0193    3.5344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2436    2.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2436    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7949    4.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7949    2.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5705    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6924    8.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1749    6.5514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7611    9.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5368    8.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9719    7.1509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4308    6.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0880    6.8794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2774    3.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    3.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6574    2.8275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9505    4.0519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9719    1.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6574    1.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2436    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613    2.7455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4307    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    3.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3462    1.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2774    0.8963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  1  2  1  0  0  0  0
  2 36  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  4 26  1  0  0  0  0
  5 37  1  0  0  0  0
  5  4  1  0  0  0  0
  6 40  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
  8  7  1  0  0  0  0
  9 20  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10  9  1  0  0  0  0
 11 17  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 24  7  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 45  1  0  0  0  0
 29  4  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 46  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32  1  1  0  0  0  0
 34  1  1  0  0  0  0
 38  5  1  0  0  0  0
 39  6  1  0  0  0  0
 41 27  1  0  0  0  0
 44 28  1  0  0  0  0
 47 30  1  0  0  0  0
 50 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002257-3D
FYIcenter.com

 50 49  0     0  0  0  0  0  0999 V2000
   -3.8273   -0.1905   -0.0198 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1052    2.1106    1.7569 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751    0.0205    1.6605 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3805    1.8468    0.9631 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0843    2.6715   -0.5704 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9824    1.1710   -1.5869 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0098    0.3386   -1.9050 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8355   -1.5131   -1.5851 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764   -1.5118    0.0215 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1612   -0.3530    1.7214 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948   -2.2154    0.8016 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3567   -0.8639   -0.9730 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178   -0.4099    1.1029 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397    1.0442   -0.1163 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3801    1.0527   -1.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0449   -0.6167    1.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4772   -1.5195   -0.9875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710    1.0963    0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745    0.7879    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3937    1.5147    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2952    0.3681    0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9561    0.5446   -0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393   -0.8208   -0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5640   -0.8951    0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789   -0.2725    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7561    2.2952   -0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2938   -1.0697    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885   -2.7098   -0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2124    3.2316   -1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2081   -1.3862    1.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7539   -3.7464   -1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3361    1.6659   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8492   -0.0310   -0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.2024    1.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964   -0.4488    1.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5753    2.1516    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046    2.7481    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7594   -0.2950   -0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1574   -1.9743   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -2.5162    0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7153   -3.1001    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4120    3.3880   -2.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0609    2.8034   -2.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5097    4.2007   -1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7644   -2.1555    2.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3583   -0.4994    2.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1817   -1.7388    1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6826   -3.9579   -2.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0328   -3.3793   -2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755   -4.6785   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  6 22  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 25  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 29  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 30  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 28 31  1  0  0  0  0
 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
 29 42  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-07, 1764👍, 0💬