Mrv1572004251606112D          

 26 25  0  0  0  0            999 V2000
    3.7125    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25  5  1  0  0  0  0
 26  6  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009491

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(F)(F)C(F)(F)C(F)(F)CCSSCCC(F)(F)C(F)(F)C(C)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C12H14F12S2/c1-7(13,14)11(21,22)9(17,18)3-5-25-26-6-4-10(19,20)12(23,24)8(2,15)16/h3-6H2,1-2H3

> <INCHI_KEY>
CIZUOSOWGOENRE-UHFFFAOYSA-N

> <FORMULA>
C12H14F12S2

> <MOLECULAR_WEIGHT>
450.34

> <EXACT_MASS>
450.034530755

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
31.06955379450948

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,4,4,5,5-hexafluoro-1-[(3,3,4,4,5,5-hexafluorohexyl)disulfanyl]hexane

> <ALOGPS_LOGP>
3.44

> <JCHEM_LOGP>
6.070581235999998

> <ALOGPS_LOGS>
-4.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
73.83160000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.48e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,4,4,5,5-hexafluoro-1-[(3,3,4,4,5,5-hexafluorohexyl)disulfanyl]hexane

> <JCHEM_VEBER_RULE>
0

> <NAME>
3,3,4,4,5,5-Hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane

> <CAS>
118400-71-8

> <SYNONYMS>
Disulfides, bis(gamma-omega-perfluoro-C6-20-alkyl)

$$$$