8301
 OpenBabel05082101102D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
8301

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
55.6

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAABAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,2,2-tetrafluoroethylene

>  <PUBCHEM_IUPAC_CAS_NAME>
1,1,2,2-tetrafluoroethene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,2,2-tetrafluoroethene

>  <PUBCHEM_IUPAC_NAME>
1,1,2,2-tetrafluoroethene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,2,2-tetrakis(fluoranyl)ethene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,2,2-tetrafluoroethylene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2F4/c3-1(4)2(5)6

>  <PUBCHEM_IUPAC_INCHIKEY>
BFKJFAAPBSQJPD-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.3

>  <PUBCHEM_EXACT_MASS>
99.993613

>  <PUBCHEM_MOLECULAR_FORMULA>
C2F4

>  <PUBCHEM_MOLECULAR_WEIGHT>
100.01

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(=C(F)F)(F)F

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(=C(F)F)(F)F

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
99.993613

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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_COORDINATE_TYPE>
1
5
255

$$$$
