68030
  -OEChem-05082407272D

 11 10  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6870    0.0000 H   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  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68030

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
62.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGQAAAAAACACAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1,3,3-pentafluoropropane

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,1,3,3-pentafluoropropane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,1,3,3-pentafluoropropane

> <PUBCHEM_IUPAC_NAME>
1,1,1,3,3-pentafluoropropane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1,3,3-pentakis(fluoranyl)propane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1,3,3-pentafluoropropane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2

> <PUBCHEM_IUPAC_INCHIKEY>
MSSNHSVIGIHOJA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
134.01549091

> <PUBCHEM_MOLECULAR_FORMULA>
C3H3F5

> <PUBCHEM_MOLECULAR_WEIGHT>
134.05

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
134.01549091

> <PUBCHEM_TOTAL_CHARGE>
0

> <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_COORDINATE_TYPE>
1
5
255

$$$$