Molecule FYI-1011347

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A

Molecule Summary:

ID: FYI-1011347
Names:
InChIKey: OQMIRQSWHKCKNJ-UHFFFAOYSA-N
SMILES: C=C(F)F.F/C(F)=C(F)/C(F)(F)F

Received at FYIcenter.com on: 2024-08-04

Molecule ID: FYI-1011347 Edit

Molecule Structure InChIKey: OQMIRQSWHKCKNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(F)F.F/C(F)=C(F)/C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1011347
FYIcenter.com

 13 11  0  0  0  0  0  0  0  0999 V2000
    8.6453    1.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    1.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453    3.0318    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453    0.6069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    0.8294    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    4.3604    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1785    4.5330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3511    2.5606    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011347-3D
FYIcenter.com

 15 13  0  0  0  0  0  0  0  0999 V2000
    1.7628   -1.5207    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641   -1.0097    0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5512   -1.2455   -0.8949 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -0.2438    1.2175 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9527    1.3711    0.4745 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950    0.8222   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1277   -0.4520   -0.7232 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    1.5262   -0.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0191    0.9361   -1.4250 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832    2.9200   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4851    3.4159   -0.5821 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624    3.7597   -0.6829 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2437    3.0310    1.1638 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513   -2.1235   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2772   -1.3309    1.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1937👍, 0💬