Molecule Editor

Molecule ID: FYI-1016181 Edit

Molecule Structure InChIKey: GMEGKYOTGGQNMZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=NNC(O)(C(F)(F)F)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016181
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.5243    3.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330    3.7242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    2.6838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7961    1.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267    0.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980    1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3248    2.7962    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016181-3D
FYIcenter.com

 18 18  0     1  0  0  0  0  0999 V2000
    2.4419   -0.8635    0.0537 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1269    1.2476   -0.4043 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980    0.4437    1.5255 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795   -0.4745   -1.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4230   -1.2256    0.3745 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7669   -1.0690    0.4139 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2386   -0.1553   -0.3694 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7663    0.9780   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9855    0.1680    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037    0.1747    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471    0.7758    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9259    1.5474   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5682    1.6441    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1647   -2.1508    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    1.6020    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1038    0.0323    0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5516    1.1580   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096   -1.2879   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$