Molecule FYI-1007341

A

Molecule Summary:

ID: FYI-1007341
Names:
InChIKey: UANGUCVWOJKNIQ-UHFFFAOYSA-N
SMILES: CC(=O)C(C)c1c(F)c(F)c(CC(C)C)c(F)c1F

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007341 Edit

Molecule Structure InChIKey: UANGUCVWOJKNIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C(C)c1c(F)c(F)c(CC(C)C)c(F)c1F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007341
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 15  6  1  0  0  0  0
  8 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007341-3D
FYIcenter.com

 35 35  0  0  1  0  0  0  0  0999 V2000
    1.0115   -0.1480    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    0.2446   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9356    0.0079   -1.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    1.0407    0.8361 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7511    0.7644    2.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049    0.8225    0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5654    1.8809    0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0719    3.1217    0.2836 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9373    1.6740    0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7149    2.7207   -0.0766 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5031    0.4023    0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9703    0.1547    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9438    0.9323    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7995    0.5457    2.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3842    0.6805    0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6445   -0.6531    0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1347   -1.8940    0.8181 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725   -0.4473    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869   -1.4952    1.1379 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207   -0.7237   -0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014    0.7484    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590   -0.7809    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762    2.0927    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410   -0.2950    2.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7016    1.0474    2.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433    1.3403    2.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1672    0.4107   -0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869   -0.9178    0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7521    2.0074    0.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0570   -0.5071    2.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.7059    2.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4657    1.1537    3.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6565   -0.3759    0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0902    1.2730    1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5137    0.9567   -0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 175👍, 0💬