Mrv1572004191602232D          

 37 36  0  0  0  0            999 V2000
   -0.6039   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    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
    4.3974    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6842    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3987    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0967    2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717    3.6020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3822    1.7605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572    3.1895    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388    0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    1.9520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    1.3480    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427    2.7770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    0.9355    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    2.3645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1131    3.7125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8112    2.5855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    4.0145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    1.4586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9172    2.0868    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7611    1.4194    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  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 15  1  0  0  0  0
 33 15  1  0  0  0  0
 34 15  1  0  0  0  0
 35  5  1  0  0  0  0
 36  6  2  0  0  0  0
 37  4  1  0  0  0  0
 37  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008497

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C15H9F19O3/c1-2-6(36)37-4-5(35)3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h2,5,35H,1,3-4H2

> <INCHI_KEY>
VAHMONSDBBIGFL-UHFFFAOYSA-N

> <FORMULA>
C15H9F19O3

> <MOLECULAR_WEIGHT>
598.204

> <EXACT_MASS>
598.024829247

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
32.72041901821392

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate

> <ALOGPS_LOGP>
4.22

> <JCHEM_LOGP>
6.850717166666667

> <ALOGPS_LOGS>
-4.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.23214374721707

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1346603249672533

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
75.54300000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Aromatic acrylate monomer (generic)

> <CAS>
250421

$$$$