Mrv1572004191601142D          

  5  4  0  0  0  0            999 V2000
    1.2375    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
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    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  1  1  0  0  0  0
  5  2  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004229

> <DATABASE_NAME>
chemdb

> <SMILES>
FCC(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2

> <INCHI_KEY>
ZBHDTYQJAQDBIH-UHFFFAOYSA-N

> <FORMULA>
C2H2ClFO

> <MOLECULAR_WEIGHT>
96.49

> <EXACT_MASS>
95.9778205

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
6.5351087782433845

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-fluoroacetyl chloride

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
0.3838276586666667

> <ALOGPS_LOGS>
-0.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.39245470921857

> <JCHEM_PKA_STRONGEST_BASIC>
-9.745686333267372

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
16.5123

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.31e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fluoroacetyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Fluoroacetyl chloride

> <CAS>
359-06-8

$$$$