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
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    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
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  1  2  1  0  0  0  0
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  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
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  9 20  1  0  0  0  0
  9  8  1  0  0  0  0
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 18 10  1  0  0  0  0
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 21  9  1  0  0  0  0
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 24  7  1  0  0  0  0
 26 27  1  0  0  0  0
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 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
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 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
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   -2.3755   -4.6785   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
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 30 46  1  0  0  0  0
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 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
$$$$

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2023-03-07, 2503👍, 0💬