Mrv1572004191604162D          

  4  3  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
    2.0625   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM014970

> <DATABASE_NAME>
chemdb

> <SMILES>
FCCBr

> <INCHI_IDENTIFIER>
InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2

> <INCHI_KEY>
JTLAIKFGRHDNQM-UHFFFAOYSA-N

> <FORMULA>
C2H4BrF

> <MOLECULAR_WEIGHT>
126.956

> <EXACT_MASS>
125.948041

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
7.589068452826848

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-bromo-2-fluoroethane

> <ALOGPS_LOGP>
1.05

> <JCHEM_LOGP>
1.222499812

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.895999999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethane, 1-bromo-2-fluoro-

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ethane, 1-bromo-2-fluoro-

> <CAS>
762-49-2

$$$$