SynCED: Showing structure for CHEM043306: 2,2,3,3-tetrafluorooxetane

10192570
  -OEChem-10101915003D

10 10  0     0  0  0  0  0  0999 V2000
   -1.4031   -0.6010    1.0803 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4090   -0.5478   -1.0924 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086   -0.6576    1.1024 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936   -0.7456   -1.0704 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    1.3029   -0.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7892   -0.0620    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -0.1370   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    1.4483    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.9948   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8737    1.9390    0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10192570

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 -0.3
2 -0.3
3 -0.3
4 -0.3
5 -0.52
6 0.6
7 0.85
8 0.26

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0.8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 5 acceptor
4 5 6 7 8 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
009B86BA00000001

> <PUBCHEM_MMFF94_ENERGY>
5.4989

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 9475077646059775817
21040471 1 17473544650986317833
29004967 10 18196965290087072554
5943 1 15798834703745075533

> <PUBCHEM_SHAPE_MULTIPOLES>
129.67
1.61
1.23
1.02
0.06
0.52
0.02
-0.36
0
-0.1
-0.02
0.01
-0.32
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
265.643

> <PUBCHEM_SHAPE_VOLUME>
76.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$

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MOL SDF 3D SDF PDB SMILES InChI

Showing structure for CHEM043306: 2,2,3,3-tetrafluorooxetane

Structure for CHEM043306: 2,2,3,3-tetrafluorooxetane