Mrv1572004191601142D          

  7  6  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 B   0  5  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
    0.8250   -0.8250    0.0000 F   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
    0.0000    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <DATABASE_ID>
CHEM004222

> <DATABASE_NAME>
chemdb

> <SMILES>
C[O+](C)[B-](F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C2H6BF3O/c1-7(2)3(4,5)6/h1-2H3

> <INCHI_KEY>
FOWZWMGLMYVYDH-UHFFFAOYSA-N

> <FORMULA>
C2H6BF3O

> <MOLECULAR_WEIGHT>
113.87

> <EXACT_MASS>
114.046379

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
8.400386813083166

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(dimethyloxo)trifluoro-λ⁵-borane

> <ALOGPS_LOGP>
2.37

> <JCHEM_LOGP>
-1.8315000000000001

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
13.59

> <JCHEM_REFRACTIVITY>
29.0122

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.59e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(dimethyloxo)trifluoro-λ⁵-borane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Boron trifluoride compound with methyl ether (1:1)

> <CAS>
353-42-4

> <SYNONYMS>
Boron, trifluoro[oxybis[methane]]-, (T-4)-

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