6392
 OpenBabel05082101102D

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6392

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
28.4

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAYAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQIAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
chloro(trifluoro)methane

>  <PUBCHEM_IUPAC_CAS_NAME>
chloro(trifluoro)methane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
chloro(trifluoro)methane

>  <PUBCHEM_IUPAC_NAME>
chloro(trifluoro)methane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
chloranyl-tris(fluoranyl)methane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
chloro(trifluoro)methane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/CClF3/c2-1(3,4)5

>  <PUBCHEM_IUPAC_INCHIKEY>
AFYPFACVUDMOHA-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2

>  <PUBCHEM_EXACT_MASS>
103.964062

>  <PUBCHEM_MOLECULAR_FORMULA>
CClF3

>  <PUBCHEM_MOLECULAR_WEIGHT>
104.46

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

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

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
103.964062

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <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

$$$$
