8302
 OpenBabel05082101102D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1160    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
    5.4641    0.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -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
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
8302

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
126

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQAAAAAACAAAABAAAAAAAACAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,2,3,3,3-hexafluoroprop-1-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
1,1,2,3,3,3-hexafluoro-1-propene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,2,3,3,3-hexafluoroprop-1-ene

>  <PUBCHEM_IUPAC_NAME>
1,1,2,3,3,3-hexafluoroprop-1-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,2,3,3,3-hexakis(fluoranyl)prop-1-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,2,3,3,3-hexafluoroprop-1-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9

>  <PUBCHEM_IUPAC_INCHIKEY>
HCDGVLDPFQMKDK-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.9

>  <PUBCHEM_EXACT_MASS>
149.990419

>  <PUBCHEM_MOLECULAR_FORMULA>
C3F6

>  <PUBCHEM_MOLECULAR_WEIGHT>
150.02

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

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

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.990419

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
9

>  <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

$$$$
