Mrv1652306031607462D          

 58 57  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    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
    2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9125   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21  3  1  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 24  4  1  0  0  0  0
 25  5  1  0  0  0  0
 26  5  1  0  0  0  0
 27  6  1  0  0  0  0
 28  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30  7  1  0  0  0  0
 31  8  1  0  0  0  0
 32  8  1  0  0  0  0
 33  9  1  0  0  0  0
 34  9  1  0  0  0  0
 35 10  1  0  0  0  0
 36 10  1  0  0  0  0
 37 11  1  0  0  0  0
 38 11  1  0  0  0  0
 39 12  1  0  0  0  0
 40 12  1  0  0  0  0
 41 13  1  0  0  0  0
 42 13  1  0  0  0  0
 43 14  1  0  0  0  0
 44 14  1  0  0  0  0
 45 15  1  0  0  0  0
 46 15  1  0  0  0  0
 47 16  1  0  0  0  0
 48 16  1  0  0  0  0
 49 17  1  0  0  0  0
 50 17  1  0  0  0  0
 51 18  1  0  0  0  0
 52 18  1  0  0  0  0
 53 19  1  0  0  0  0
 54 19  1  0  0  0  0
 55 20  1  0  0  0  0
 56 20  1  0  0  0  0
 57 20  1  0  0  0  0
 58  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM013471

> <DATABASE_NAME>
chemdb

> <SMILES>
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C20H5F37O/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h58H,1-2H2

> <INCHI_KEY>
FDCQNVKWWMNRQN-UHFFFAOYSA-N

> <FORMULA>
C20H5F37O

> <MOLECULAR_WEIGHT>
964.2

> <EXACT_MASS>
963.974956812

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
44.506395812501836

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-1-ol

> <ALOGPS_LOGP>
5.83

> <JCHEM_LOGP>
12.617748433

> <ALOGPS_LOGS>
-4.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.763865248861187

> <JCHEM_PKA_STRONGEST_BASIC>
-2.464685340148116

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
97.51920000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.82e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-heptatriacontafluoroicosan-1-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Heptatriacontafluoroicosan-1-ol

> <CAS>
65104-65-6

$$$$