(2,4,5-Trifluorophenyl)boronic acid

C₆H₄BF₃O₂CAS 247564-72-3175.90 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₄BF₃O₂
Molar mass: 175.90 g/mol
Exact mass: 176.0256 Da
logP: -0.22Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

247564-72-3

SMILES

OB(O)c1cc(F)c(F)cc1F

InChIKey

KCHHKNCSISEAAE-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BF3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(2,4,5-trifluorophenyl)-
Boronic acid, (2,4,5-trifluorophenyl)-
B-(2,4,5-Trifluorophenyl)boronic acid

Work with (2,4,5-Trifluorophenyl)boronic 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

2,4-Difluorophenylboronic acid144025-03-656 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-652 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-452 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-748 % similar (3,4-Difluorophenyl)boronic acid168267-41-248 % similar 1,2,4,5-Tetrafluorobenzene327-54-847 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-747 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-647 % similar

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

Same formula

(3,4,5-Trifluorophenyl)boronic acid143418-49-9 (2,4,6-Trifluorophenyl)boronic acid182482-25-3 2,3,5-Trifluorophenylboronic acid247564-73-4

Elsewhere

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