(2,4,6-Trifluorophenyl)boronic acid

C₆H₄BF₃O₂CAS 182482-25-3175.90 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

182482-25-3

SMILES

OB(O)c1c(F)cc(F)cc1F

InChIKey

IPEIGKHHSZFAEW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/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-(2,4,6-trifluorophenyl)-
Boronic acid, (2,4,6-trifluorophenyl)-
B-(2,4,6-Trifluorophenyl)boronic acid

Work with (2,4,6-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

2,6-Difluorophenylboronic acid162101-25-956 % similar 2,4-Difluorophenylboronic acid144025-03-654 % similar (3,5-Difluorophenyl)boronic acid156545-07-252 % similar 2,4,6-Trifluorophenol2268-17-948 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-347 % similar 1,2,3,5-Tetrafluorobenzene2367-82-046 % similar 1,3,5-Trifluoro-2-(trifluoromethyl)benzene122030-04-044 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-743 % similar

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

Same formula

(3,4,5-Trifluorophenyl)boronic acid143418-49-9 (2,4,5-Trifluorophenyl)boronic acid247564-72-3 2,3,5-Trifluorophenylboronic acid247564-73-4

Elsewhere

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