Mrv1572004191601092D          

  5  4  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
    0.8250   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   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  1  1  0  0  0  0
  5  1  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004015

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)(F)Br

> <INCHI_IDENTIFIER>
InChI=1S/CBrF3/c2-1(3,4)5

> <INCHI_KEY>
RJCQBQGAPKAMLL-UHFFFAOYSA-N

> <FORMULA>
CBrF3

> <MOLECULAR_WEIGHT>
148.91

> <EXACT_MASS>
147.913547

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
5.8256566199380515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bromotrifluoromethane

> <ALOGPS_LOGP>
1.55

> <JCHEM_LOGP>
2.2838873289999997

> <ALOGPS_LOGS>
-1.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
2.3038

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.00e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bromotrifluoromethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Bromotrifluoromethane

> <CAS>
75-63-8

> <SYNONYMS>
Halon 1301; Methane, bromotrifluoro-

$$$$