2,6-Difluorophenylboronic acid

C₆H₅BF₂O₂CAS 162101-25-9157.91 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

162101-25-9

SMILES

OB(O)c1c(F)cccc1F

InChIKey

DBZAICSEFBVFHL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(2,6-difluorophenyl)-
Boronic acid, (2,6-difluorophenyl)-
B-(2,6-Difluorophenyl)boronic acid
2,6-Difluorobenzeneboronic acid

Work with 2,6-Difluorophenylboronic 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-Chloro-6-fluorophenylboronic acid313545-32-372 % similar B-(2-Bromo-6-fluorophenyl)boronic acid913835-80-072 % similar (2,4,6-Trifluorophenyl)boronic acid182482-25-356 % similar (2-Chloro-3-fluorophenyl)boronic acid871329-52-154 % similar B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-747 % similar 2,6-Dimethylphenylboronic acid100379-00-846 % similar 2,6-Difluorophenol28177-48-246 % similar B-(4-Fluoro-1-naphthalenyl)boronic acid182344-25-843 % 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 (3,5-Difluorophenyl)boronic acid156545-07-2 (3,4-Difluorophenyl)boronic acid168267-41-2

Elsewhere

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