Molecule FYI-1007578

A

Molecule Summary:

ID: FYI-1007578
Names:
InChIKey: PLUROMFMCCEAKP-UHFFFAOYSA-N
SMILES: C=c2c(=O)c1cc(F)c(F)cc1c2=C(C#N)C#N

Received at FYIcenter.com on: 2024-03-04

Molecule ID: FYI-1007578 Edit

Molecule Structure InChIKey: PLUROMFMCCEAKP-UHFFFAOYSA-N

Molecule Structure SMILES String: C=c2c(=O)c1cc(F)c(F)cc1c2=C(C#N)C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1007578
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.7066    1.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    1.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290    2.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4616    4.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    5.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597    6.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964    7.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638    8.8868    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659    7.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027    8.3047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3985    5.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    0.6246    0.0000 H   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  3  0  0  0  0
 18 15  1  0  0  0  0
 19 18  3  0  0  0  0
  2 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007578-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    3.2700   -2.2145    0.0002 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4277    0.2535    0.0008 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1236    3.4050   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5637   -0.3484    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2438   -3.3744   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -0.1192   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351    1.1436   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    1.5077    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857    2.2102   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1011   -1.2643   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.3056    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -1.1218   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914    0.1507    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399   -0.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5627    2.1755    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4310   -0.6015    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006   -2.2700   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7585   -2.2801   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    2.2868    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386    3.2639    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5608    1.7831    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4 17  3  0  0  0  0
  5 18  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
$$$$

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