Mrv1652306031607432D          

 16 15  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
    1.2375   -0.7145    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
    1.2375    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    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
    2.3645   -1.0164    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
    2.7770   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.5724    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
    3.1895   -2.4454    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  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  1  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044120

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C5F10O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15

> <INCHI_KEY>
RUFSXELMOQBMOF-UHFFFAOYSA-N

> <FORMULA>
C5F10O

> <MOLECULAR_WEIGHT>
266.038

> <EXACT_MASS>
265.97894625

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.199255778260468

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nonafluoropentanoyl fluoride

> <ALOGPS_LOGP>
2.74

> <JCHEM_LOGP>
3.2566514643333333

> <ALOGPS_LOGS>
-4.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
26.881400000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.29e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nonafluoropentanoyl fluoride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Nonafluorovaleryl Fluoride

> <CAS>
375-62-2

$$$$