9639
 OpenBabel05082101102D

 20 19  0  0  0  0  0  0  0  0999 V2000
    4.0981    0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -0.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    0.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    2.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 19  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 20  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
9639

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
319

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
14

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQAAAAAACAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

>  <PUBCHEM_IUPAC_CAS_NAME>
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

>  <PUBCHEM_IUPAC_NAME>
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecakis(fluoranyl)hexane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20

>  <PUBCHEM_IUPAC_INCHIKEY>
ZJIJAJXFLBMLCK-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
5.1

>  <PUBCHEM_EXACT_MASS>
337.977644

>  <PUBCHEM_MOLECULAR_FORMULA>
C6F14

>  <PUBCHEM_MOLECULAR_WEIGHT>
338.04

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

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

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.977644

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <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

$$$$
