Molecule FYI-1003422

A

Molecule Summary:

ID: FYI-1003422
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-1003422 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-1003422
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-1003422-3D
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
    1.6127   -0.9968    0.4665 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3854   -0.0273   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    0.2835   -1.3164 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731   -0.4247   -2.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    0.8138    0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    2.1205    0.8584 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    0.4379    2.2447 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6576    0.6442    0.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9955   -0.6775    0.8928 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0057    1.0110   -0.4699 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4601    1.4424    1.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458    2.7647    1.7065 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179    1.0704    3.0701 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9679    1.2691    1.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4720    0.0838    1.2721 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.6945    2.3621    1.8705 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0835    2.4060    1.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -1.6207   -0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5306   -1.1248    1.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919    1.0583   -1.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072   -1.0144   -1.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8880   -0.7417    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4593   -0.0943    1.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    3.2490    2.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4284    1.5072    1.6523 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, 1905👍, 0💬