(3,5-Difluorophenyl)boronic acid

C₆H₅BF₂O₂CAS 156545-07-2157.91 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BF₂O₂
Molar mass: 157.91 g/mol
Exact mass: 158.0351 Da
logP: -0.36Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

156545-07-2

SMILES

OB(O)c1cc(F)cc(F)c1

InChIKey

QWQBQRYFWNIDOC-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-(3,5-difluorophenyl)-
Boronic acid, (3,5-difluorophenyl)-
B-(3,5-Difluorophenyl)boronic acid
(3,5-Difluorophenyl)dihydroxyborane
3,5-Difluorobenzeneboronic acid

Work with (3,5-Difluorophenyl)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

B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-771 % similar 3-Fluorophenylboronic acid768-35-463 % similar B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-161 % similar (5-Fluoropyridin-3-yl)boronic acid872041-86-658 % similar (4-Fluorophenyl)boronic acid1765-93-157 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-952 % similar (2,4,6-Trifluorophenyl)boronic acid182482-25-352 % similar 1,3,5-Trifluorobenzene372-38-350 % similar

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

Same formula

(2,3-Difluorophenyl)boronic acid121219-16-7 2,4-Difluorophenylboronic acid144025-03-6 2,6-Difluorophenylboronic acid162101-25-9 (3,4-Difluorophenyl)boronic acid168267-41-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook