6432
  -OEChem-04242401502D

 11 10  0     0  0  0  0  0  0999 V2000
    3.2320    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
120

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQAAAAAACAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1,2,2,3,3,3-octafluoropropane

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,1,2,2,3,3,3-octafluoropropane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,1,2,2,3,3,3-octafluoropropane

> <PUBCHEM_IUPAC_NAME>
1,1,1,2,2,3,3,3-octafluoropropane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1,2,2,3,3,3-octakis(fluoranyl)propane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1,2,2,3,3,3-octafluoropropane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11

> <PUBCHEM_IUPAC_INCHIKEY>
QYSGYZVSCZSLHT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
187.98722530

> <PUBCHEM_MOLECULAR_FORMULA>
C3F8

> <PUBCHEM_MOLECULAR_WEIGHT>
188.02

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
187.98722530

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$