Mrv0541 02241205232D          

  5  1  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.6500    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1640

> <DATABASE_NAME>
t3db

> <SMILES>
F.F.F.O=[V]

> <INCHI_IDENTIFIER>
InChI=1S/3FH.O.V/h3*1H;;

> <INCHI_KEY>
HHQFLEDKAVLHOM-UHFFFAOYSA-N

> <FORMULA>
F3H3OV

> <MOLECULAR_WEIGHT>
126.9599

> <EXACT_MASS>
126.957563008

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
2.8789761653518973

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxovanadium trihydrofluoride

> <JCHEM_LOGP>
-0.3514

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.2139958915076362

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
1.4429

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
vanadium monoxide trihydrofluoride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1640

> <NAME>
Vanadium(V) oxytrifluoride

> <CAS>
13709-31-4

> <SYNONYMS>
Trifluorooxovanadium; Vanadium oxytrifluoride; Vanadyl trifluoride; VOF3

> <TYPES>
Inorganic Compound; Vanadium Compound; Fluoride Compound; Industrial/Workplace Toxin; Synthetic Compound

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