chempirical

2,4-Bis(trifluoromethyl)phenylboronic acid

C8H5BF6O2CAS 153254-09-2257.93 g/mol

Open in Covalent MOL file
HOBHOFFFFFF
Alkyl halideBoronic acid

Properties

Molecular formula
C8H5BF6O2
Molar mass
257.93 g/mol
Exact mass
258.0287 Da
logP
1.40Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
153254-09-2
SMILES
OB(O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIKey
WLYPBMBWKYALCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H

Weigh it out

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

Names and synonyms

7 names
  • Boronic acid, B-[2,4-bis(trifluoromethyl)phenyl]-
  • Boronic acid, [2,4-bis(trifluoromethyl)phenyl]-
  • B-[2,4-Bis(trifluoromethyl)phenyl]boronic acid
  • 2,4-Bis(trifluoromethyl)benzeneboronic acid
  • 2,4-Di(trifluoromethyl)benzeneboronic acid
  • [2′,4′-Bis(trifluoromethyl)phenyl]boronic acid
  • (2,4-Ditrifluoromethylphenyl)boronic acid

Work with 2,4-Bis(trifluoromethyl)phenylboronic acid

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

B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid182344-16-766 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-761 % similar 2-Trifluoromethylphenylboronic acid1423-27-458 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-452 % similar 3-Trifluoromethylphenylboronic acid1423-26-350 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-348 % similar 2,4-Bis(trifluoromethyl)benzamide53130-45-345 % similar 5-(Trifluoromethyl)pyridin-2-ylboronic acid1162257-58-044 % similar

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

Elsewhere

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