9873
  -OEChem-05072406492D

 26 25  0     0  0  0  0  0  0999 V2000
    2.0000   -2.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    1.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    2.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    0.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    2.6160    0.0000 F   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
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 26  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9873

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
527

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
17

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBwAcAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQBAAAABCAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octane

> <PUBCHEM_IUPAC_CAS_NAME>
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

> <PUBCHEM_IUPAC_NAME>
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-bromanyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26

> <PUBCHEM_IUPAC_INCHIKEY>
WTWWXOGTJWMJHI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.9

> <PUBCHEM_EXACT_MASS>
497.89119

> <PUBCHEM_MOLECULAR_FORMULA>
C8BrF17

> <PUBCHEM_MOLECULAR_WEIGHT>
498.96

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
497.89119

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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

$$$$