Mrv1652306031607442D          

 33 32  0  0  0  0            999 V2000
    2.3349   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.1105    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
   -0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3809   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0954   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8099   -2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5243   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2388   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9533   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.2539    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -2.6664    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -3.0789    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2224   -2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3974   -3.4914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9368   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1118   -3.9039    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6513   -2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8263   -4.3164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6677   -4.4270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3658   -3.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5408   -4.7289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  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  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 12  1  0  0  0  0
 27 13  1  0  0  0  0
 28 13  1  0  0  0  0
 29 14  1  0  0  0  0
 30 14  1  0  0  0  0
 31 14  1  0  0  0  0
 32  6  2  0  0  0  0
 33  4  1  0  0  0  0
 33  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010826

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=C)C(=O)OCCC(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/C14H9F17O2/c1-5(2)6(32)33-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3

> <INCHI_KEY>
HBZFBSFGXQBQTB-UHFFFAOYSA-N

> <FORMULA>
C14H9F17O2

> <MOLECULAR_WEIGHT>
532.197

> <EXACT_MASS>
532.033108301

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
29.965896232786484

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate

> <ALOGPS_LOGP>
4.41

> <JCHEM_LOGP>
7.437623529666666

> <ALOGPS_LOGS>
-4.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.832735300475483

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
68.99550000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.54e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl 2-methylprop-2-enoate

> <CAS>
1996-88-9

> <SYNONYMS>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl methacrylate

$$$$