(3,4,5-Trifluorophenyl)boronic acid

C₆H₄BF₃O₂CAS 143418-49-9175.90 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

143418-49-9

SMILES

OB(O)c1cc(F)c(F)c(F)c1

InChIKey

UHDDEIOYXFXNNJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(3,4,5-trifluorophenyl)-
Boronic acid, (3,4,5-trifluorophenyl)-
B-(3,4,5-Trifluorophenyl)boronic acid
3,4,5-Trifluorobenzeneboronic acid

Work with (3,4,5-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

(3,4-Difluorophenyl)boronic acid168267-41-258 % similar (3,5-Difluorophenyl)boronic acid156545-07-252 % similar 3,4,5-Trifluorophenol99627-05-148 % similar 1,2,3,5-Tetrafluorobenzene2367-82-046 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-045 % similar Pentafluorobenzene363-72-443 % similar (2,3-Difluorophenyl)boronic acid121219-16-743 % 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

(2,4,6-Trifluorophenyl)boronic acid182482-25-3 (2,4,5-Trifluorophenyl)boronic acid247564-72-3 2,3,5-Trifluorophenylboronic acid247564-73-4

Elsewhere

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