Mrv1652306031608352D          

 35 37  0  0  0  0            999 V2000
    0.5340   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889   -1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460   -1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215   -2.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5959   -2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1984   -0.2943    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048   -0.2275    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9604   -2.6395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   -2.6395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265   -3.0362    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -3.0362    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925    0.1382    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.3776    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496    0.1382    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9863    0.3776    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526   -2.8166    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.5772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2097   -2.8166    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464   -2.5772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0925    0.1941    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682   -0.3242    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496    0.1941    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4253   -0.3242    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7799   -1.9213    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409   -1.1636    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -1.9213    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6980   -1.1636    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15  2  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27  9  1  0  0  0  0
 28 10  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
 32 12  1  0  0  0  0
 33 12  1  0  0  0  0
 34 13  1  0  0  0  0
 35 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044807

> <DATABASE_NAME>
chemdb

> <SMILES>
FC1(F)C2(F)C(F)(C3(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C13F22/c14-1-2(15)4(17,9(26,27)13(34,35)11(30,31)7(2,22)23)5(18,19)3(1,16)8(24,25)12(32,33)10(28,29)6(1,20)21

> <INCHI_KEY>
PDFYOLXVKFUEPM-UHFFFAOYSA-N

> <FORMULA>
C13F22

> <MOLECULAR_WEIGHT>
574.108

> <EXACT_MASS>
573.964869586

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
25.255424640752516

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
docosafluoro-dodecahydro-1H-fluorene

> <ALOGPS_LOGP>
4.53

> <JCHEM_LOGP>
6.700836724999999

> <ALOGPS_LOGS>
-3.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
54.71400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
perfluorotricyclotridecane

> <JCHEM_VEBER_RULE>
1

> <NAME>
docosafluorododecahydrofluorene

> <CAS>
307-08-4

$$$$