67940
  -OEChem-05142407562D

 11 10  0     0  0  0  0  0  0999 V2000
    3.7320   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67940

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
93

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGQAAAAAACACAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H

> <PUBCHEM_IUPAC_INCHIKEY>
YFMFNYKEUDLDTL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
169.99664717

> <PUBCHEM_MOLECULAR_FORMULA>
C3HF7

> <PUBCHEM_MOLECULAR_WEIGHT>
170.03

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
169.99664717

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$