Mrv1652306031607452D          

 50 49  0  0  0  0            999 V2000
    2.0625    0.7145    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
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -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
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500   -7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3625   -7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750   -8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1875   -9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6000  -10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0125  -10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0145   -3.8743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855   -4.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270   -4.5888    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -5.4138    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395   -5.3033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -6.1283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2520   -6.0177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230   -6.8427    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6645   -6.7322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355   -7.5572    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0770   -7.4467    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480   -8.2717    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895   -8.1612    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605   -8.9862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9020   -8.8756    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730   -9.7006    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3145   -9.5901    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8855  -10.4151    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4250  -11.4315    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7270  -10.3046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2980  -11.1296    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  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  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
 36 14  1  0  0  0  0
 37 14  1  0  0  0  0
 38 15  1  0  0  0  0
 39 15  1  0  0  0  0
 40 16  1  0  0  0  0
 41 16  1  0  0  0  0
 42 17  1  0  0  0  0
 43 17  1  0  0  0  0
 44 18  1  0  0  0  0
 45 18  1  0  0  0  0
 46 19  1  0  0  0  0
 47 19  1  0  0  0  0
 48 19  1  0  0  0  0
 49  5  2  0  0  0  0
 50  4  1  0  0  0  0
 50  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011906

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(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)CCOC(=O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C19H7F29O2/c1-2-5(49)50-4-3-6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)48/h2H,1,3-4H2

> <INCHI_KEY>
KLOHTAIHCCMZIL-UHFFFAOYSA-N

> <FORMULA>
C19H7F29O2

> <MOLECULAR_WEIGHT>
818.217

> <EXACT_MASS>
817.998296192

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
41.09805368034623

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl prop-2-enoate

> <ALOGPS_LOGP>
5.81

> <JCHEM_LOGP>
11.245929326333332

> <ALOGPS_LOGS>
-4.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.780661254019047

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
92.64640000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.26e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl prop-2-enoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Nonacosafluorohexadecyl prop-2-enoate

> <CAS>
34362-49-7

> <SYNONYMS>
1,1,2,2-Tetrahydroperfluorohexadecyl acrylate

> <TYPES>
PFAS

$$$$