Mrv1652306031606502D          

 23 22  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -2.4454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -4.2868    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -3.9849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -3.1599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  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  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  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  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21  3  2  0  0  0  0
 22  3  1  0  0  0  0
 23  1  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043359

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(C(O)=O)=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C8H2F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22)/b2-1+

> <INCHI_KEY>
BKOBFLVYTXYFQZ-OWOJBTEDSA-N

> <FORMULA>
C8H2F12O2

> <MOLECULAR_WEIGHT>
358.083

> <EXACT_MASS>
357.98631726

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
17.12936936109783

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enoic acid

> <ALOGPS_LOGP>
3.37

> <JCHEM_LOGP>
3.862000596

> <ALOGPS_LOGS>
-4.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.1617823109280785

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
42.69720000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.76e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enoic acid

> <JCHEM_VEBER_RULE>
1

> <NAME>
2H-perfluoro-2-octenoic acid

$$$$