chempirical

(T-4)-Trifluoro(phenol)boron

C6H6BF3OCAS 462-05-5161.92 g/mol

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FB−FFHO+

Properties

Molecular formula
C6H6BF3O
Molar mass
161.92 g/mol
Exact mass
162.0464 Da
logP
2.27Crippen estimate
Polar surface area
12.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
462-05-5
SMILES
F[B-](F)(F)[OH+]c1ccccc1
InChIKey
OBOKEVRBSIGDRU-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BF3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5,11H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Boron, trifluoro(phenol)-, (T-4)-
  • Phenol, compd. with boron fluoride (BF3) (1:1)
  • Phenol, compd. with trifluoroborane (1:1)
  • Phenol, compd. with BF3 (1:1)
  • Boron fluoride (BF3), compd. with phenol (1:1)
  • Borane, trifluoro-, compd. with phenol (1:1)
  • Phenol, boron complex
  • Boron trifluoride-phenol (1:1)
  • Boron trifluoride-phenol complex (1:1)
  • Boron trifluoride phenolate
  • Boron fluoride phenol complex
  • Boron trifluoride compd. with phenol
  • Trifluoroborane phenolate
  • Boron trifluoride-phenol complex

Work with (T-4)-Trifluoro(phenol)boron

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tritylium tetrafluoroborate341-02-633 % similar 1,2-Difluorobenzene367-11-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook