6430
 OpenBabel05082101102D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.7500    0.0000 Cl  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
    4.5981    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.1160    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
  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  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6430

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
82.9

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAcAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQIAAAAAAAIAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8

>  <PUBCHEM_IUPAC_INCHIKEY>
RFCAUADVODFSLZ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
2.6

>  <PUBCHEM_EXACT_MASS>
153.960869

>  <PUBCHEM_MOLECULAR_FORMULA>
C2ClF5

>  <PUBCHEM_MOLECULAR_WEIGHT>
154.46

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

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

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
153.960869

>  <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

$$$$
