Molecule FYI-1014345

A

Molecule Summary:

ID: FYI-1014345
Names:
InChIKey: WXFIFQBOJYDOBV-UHFFFAOYSA-N
SMILES: c1ccccc1.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014345 Edit

Molecule Structure InChIKey: WXFIFQBOJYDOBV-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccccc1.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1014345
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
    1.2125    6.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4634    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4634    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2510    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8261    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6136    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4012    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8887    0.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1012    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7011    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9136    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3136    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5261    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1260    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3385    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7385    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9510    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1634    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8634    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2510    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27 10  1  0  0  0  0
 28 10  1  0  0  0  0
 29  9  1  0  0  0  0
 30  9  1  0  0  0  0
 31  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014345-3D
FYIcenter.com

 38 37  0  0  0  0  0  0  0  0999 V2000
    0.5072   -0.6236    1.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3211   -1.5754    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175   -1.1762    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723    0.1730    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328    1.1283    0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504    0.7282    1.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002   -0.7822   -1.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    0.4125   -0.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    1.2187   -1.7680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4902    1.1520    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    2.4853    0.1852 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9288    0.7482    1.4577 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9754    0.9600    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324    1.6426    1.5552 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818   -0.3387    0.6694 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7574    1.4813   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2905    0.9133   -1.9070 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189    2.8140   -0.9043 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2519    1.2094   -0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4790   -0.1316   -0.6334 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8264    1.6579   -1.8141 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9225    1.8784    0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6148    3.2048    0.5105 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4510    1.3826    1.6993 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4141    1.6862    0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    0.3560    0.5574 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9482    2.1524   -0.6420 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0198    2.4061    1.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1508    3.2108    2.3760 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    1.5296    2.6362 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    3.1859    1.3500 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -0.9469    1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0266   -2.6211    0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1758   -1.9217   -0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8100    0.4776   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3019    2.1806    0.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    1.4748    1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    2.1351   -1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 844👍, 0💬