Molecule FYI-1006437

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A

Molecule Summary:

ID: FYI-1006437
Names:
InChIKey: KDTAEYOYAZPLIC-UHFFFAOYSA-N
SMILES: CN(C)c2ccc1c(C(F)(F)F)cc(=O)oc1c2

Received at FYIcenter.com on: 2023-12-18

Molecule ID: FYI-1006437 Edit

Molecule Structure InChIKey: KDTAEYOYAZPLIC-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c2ccc1c(C(F)(F)F)cc(=O)oc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006437
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    8.6746    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.1124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006437-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
   -3.4084    1.4488    1.1377 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159    2.4983    0.0815 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4070    1.5181   -1.0411 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2673   -2.2178   -0.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2269   -3.3957   -0.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8884    0.2097    0.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3415    0.2226    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843   -0.9688   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788    0.2100    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091    0.1529    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -0.9920   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3808    1.4228    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804    1.4155    0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4018   -1.0488   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6182    1.4162    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -2.3144   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6265    1.3052   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268   -0.8825    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -1.9497   -0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    2.4277    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2978    2.3705    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4845   -1.1317   -0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6568    1.0127   -0.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    1.6354   -1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6736    2.1547    0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704   -1.7369   -0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6584   -0.5903    0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -1.2054    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
$$$$

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2023-12-31, 1227👍, 0💬