Molecule FYI-1003421

A

Molecule Summary:

ID: FYI-1003421
Names:
InChIKey: CDWHNJLCCKBYEX-UHFFFAOYSA-P
SMILES: [NH2+]=C(NO)C(F)(F)C(F)(F)C(F)(F)C(=[NH2+])NO

Received at FYIcenter.com on: 2023-06-15

Molecule ID: FYI-1003421 Edit

Molecule Structure InChIKey: CDWHNJLCCKBYEX-UHFFFAOYSA-P

Molecule Structure SMILES String: [NH2+]=C(NO)C(F)(F)C(F)(F)C(F)(F)C(=[NH2+])NO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003421
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.3999    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3999    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  1  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003421-3D
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
    1.4925   -0.5091    0.9655 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2682   -0.0170   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980   -0.5316   -1.2282 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507   -1.6990   -1.6313 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0439    1.2561    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    2.2369   -0.5540 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    1.6947    1.5584 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434    1.0056    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812   -0.0059    1.1202 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8886    0.5540   -0.9760 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474    2.2470    0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    3.2547   -0.2539 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0066    2.6914    1.8469 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    1.9972    0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3578    0.8321    0.9757 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.5822    3.0264    0.1132 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9721    3.0053    0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9087   -1.3328    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4114   -0.0145    1.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -0.1086   -1.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963   -1.9524   -0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7734    0.0806    1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    0.6032    0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    3.9102   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3141    2.2012    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 1858👍, 0💬