9632
 OpenBabel05082101102D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.8170    0.0000 Cl  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
    4.5981   -0.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 F   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
    3.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
9632

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
60.7

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAcAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGQIAAAAAAAKAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-chloro-1,1,2,2-tetrafluoro-ethane

>  <PUBCHEM_IUPAC_CAS_NAME>
1-chloro-1,1,2,2-tetrafluoroethane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-chloro-1,1,2,2-tetrafluoroethane

>  <PUBCHEM_IUPAC_NAME>
1-chloro-1,1,2,2-tetrafluoroethane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-chloro-1,1,2,2-tetrafluoro-ethane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H

>  <PUBCHEM_IUPAC_INCHIKEY>
JQZFYIGAYWLRCC-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.4

>  <PUBCHEM_EXACT_MASS>
135.97029

>  <PUBCHEM_MOLECULAR_FORMULA>
C2HClF4

>  <PUBCHEM_MOLECULAR_WEIGHT>
136.47

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

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

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
135.97029

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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

$$$$
