Molecule FYI-1001028

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A

Molecule Summary:

ID: FYI-1001028
SMILES: C1CCC(CC1)(F)F

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001028 Edit

Molecule Structure SMILES String: C1CCC(CC1)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001028
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    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  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001028-3D
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.7331    1.2603   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4654   -0.0039    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7318   -1.2682   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231   -1.2501    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528    0.0028   -0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    1.2616    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3571   -2.3451   -0.2670 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7827   -1.3385    1.5730 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725    1.3362   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447    2.1425    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -0.0018    1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821   -0.0064   -0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329   -2.1474    0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839   -1.3685   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4738    0.0012    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410    0.0029   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    1.3248    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2341    2.1494   -0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$

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2022-03-29, 2155👍, 0💬