Mrv1652306031607082D          

 40 39  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
    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
   11.9625   -0.7145    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
    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  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25  8  1  0  0  0  0
 26  8  1  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 29 10  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  1  0  0  0  0
 32 11  1  0  0  0  0
 33 12  1  0  0  0  0
 34 12  1  0  0  0  0
 35 13  1  0  0  0  0
 36 13  1  0  0  0  0
 37 14  1  0  0  0  0
 38 14  1  0  0  0  0
 39 14  1  0  0  0  0
 40  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012200

> <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)F

> <INCHI_IDENTIFIER>
InChI=1S/C14H5F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2

> <INCHI_KEY>
QBBJBWKVSJWYQK-UHFFFAOYSA-N

> <FORMULA>
C14H5F25O

> <MOLECULAR_WEIGHT>
664.153

> <EXACT_MASS>
663.994118856

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.28991800105395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecan-1-ol

> <ALOGPS_LOGP>
4.96

> <JCHEM_LOGP>
8.413892146999999

> <ALOGPS_LOGS>
-4.16

> <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>
69.51120000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.56e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecan-1-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradecan-1-ol

> <CAS>
39239-77-5

> <SYNONYMS>
12:2 FTOH

$$$$