61109
 OpenBabel05082101102D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.4641    1.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
61109

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
172

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQAAAAAADAAAABAAAAAAAACAAgBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-1-propene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene

>  <PUBCHEM_IUPAC_NAME>
1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,3,3,3-pentakis(fluoranyl)-2-(trifluoromethyl)prop-1-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4F8/c5-2(6)1(3(7,8)9)4(10,11)12

>  <PUBCHEM_IUPAC_INCHIKEY>
DAFIBNSJXIGBQB-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.2

>  <PUBCHEM_EXACT_MASS>
199.987225

>  <PUBCHEM_MOLECULAR_FORMULA>
C4F8

>  <PUBCHEM_MOLECULAR_WEIGHT>
200.03

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

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

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
199.987225

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <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

$$$$
