Mrv1718010261720002D          

 11 10  0  0  0  0            999 V2000
    0.8250    2.8579    0.0000 H   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 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.1434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 O   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 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
    0.8250    0.0000    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01560

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C3HF5O2/c4-1(9)3(7,8)10-2(5)6/h2H

> <INCHI_KEY>
TVUMCYGRGFDDJV-UHFFFAOYSA-N

> <FORMULA>
C3HF5O2

> <MOLECULAR_WEIGHT>
164.031

> <EXACT_MASS>
163.989670087

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
7.799166910718118

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(difluoromethoxy)-2,2-difluoroacetyl fluoride

> <ALOGPS_LOGP>
1.53

> <JCHEM_LOGP>
1.9275485169999997

> <ALOGPS_LOGS>
-2.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.015120650465127

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
19.044800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.27e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(difluoromethoxy)difluoroacetyl fluoride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBMET01560

> <NAME>
2-(difluoromethoxy)-2,2-difluoroacetyl fluoride

$$$$