Mrv1572004191601422D          

 28 29  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873    0.7284    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873    0.7284    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    0.7284    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163    0.7284    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -2.3784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873   -2.3784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -2.3784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163   -2.3784    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.2871    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390   -0.3837    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    0.2871    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -0.3837    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -1.9371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390   -1.2663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806   -1.9371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -1.2663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26  9  1  0  0  0  0
 27 10  1  0  0  0  0
 28 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM005731

> <DATABASE_NAME>
chemdb

> <SMILES>
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16

> <INCHI_KEY>
UWEYRJFJVCLAGH-UHFFFAOYSA-N

> <FORMULA>
C10F18

> <MOLECULAR_WEIGHT>
462.081

> <EXACT_MASS>
461.971256934

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
19.623017189678905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecafluoro-decahydronaphthalene

> <ALOGPS_LOGP>
4.27

> <JCHEM_LOGP>
5.802667862666666

> <ALOGPS_LOGS>
-3.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
43.69500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.64e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
perfluorodecalin

> <JCHEM_VEBER_RULE>
1

> <NAME>
FD&C RED NO. 3, ALUMINUM LAKE--PROHIBITED

> <CAS>
12227-78-0

> <SYNONYMS>
C.I. Pigment Red 172; erythrosine; Perflunafene

$$$$