Molecule FYI-1008546

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A

Molecule Summary:

ID: FYI-1008546
Names:
InChIKey: ADOXWNWNWJTEFW-UHFFFAOYSA-N
SMILES: CC(Oc1ccnc(N)c1)C(F)(F)F

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008546 Edit

Molecule Structure InChIKey: ADOXWNWNWJTEFW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(Oc1ccnc(N)c1)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1008546
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008546-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
   -1.8134    1.6436    0.5973 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345    0.8336   -0.9341 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4783    0.3524    1.1673 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114   -0.3529   -0.8632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -0.4138    0.4842 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    1.8792   -0.1212 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199   -0.6577    0.0949 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5209    0.5506    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883   -1.8892   -0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   -0.3728   -0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4661    0.7745   -0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232   -1.5405    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7707    0.7023   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -1.5091    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1877   -0.8640    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8316   -1.7314   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1863   -2.1437    0.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7198   -2.7513   -0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0564    1.6927   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491   -2.4575    0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0067   -2.3942    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3420    2.5484   -0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095    1.8202    0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1287👍, 0💬