Molecule FYI-1014138

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A

Molecule Summary:

ID: FYI-1014138
Names:
InChIKey: CLETVOIFUYDZSQ-UHFFFAOYSA-N
SMILES: O=C(O)C(F)(F)CC(F)(F)CC(F)F

Received at FYIcenter.com on: 2025-03-04

Molecule ID: FYI-1014138 Edit

Molecule Structure InChIKey: CLETVOIFUYDZSQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C(F)(F)CC(F)(F)CC(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1014138
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    1.2124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    1.2124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.7124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014138-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    0.8153    0.2533    1.4420 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9633   -1.3126   -0.0623 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764    0.1145    1.5322 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6536   -1.5323    0.1180 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587   -1.0226   -0.1510 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411    0.9587   -0.5896 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033   -0.4082   -1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6570    1.3015    0.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045    0.0282    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404    0.4571   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0131    0.7128   -0.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.1778    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.2997    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0608    0.3277   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5620    0.2033   -1.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6273    1.5472   -0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    0.4895   -1.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9156    1.8002   -0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4257    0.5078    1.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3522   -0.0676   -1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1483👍, 0💬