4-Fluoro-2-(trifluoromethyl)benzeneboronic acid

C₇H₅BF₄O₂CAS 182344-16-7207.92 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Boronic acid

Properties

Molecular formula: C₇H₅BF₄O₂
Molar mass: 207.92 g/mol
Exact mass: 208.0319 Da
logP: 0.52Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

182344-16-7

SMILES

OB(O)c1ccc(F)cc1C(F)(F)F

InChIKey

SWUPLEAGZOKLNX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BF4O2/c9-4-1-2-6(8(13)14)5(3-4)7(10,11)12/h1-3,13-14H

Weigh it out

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

Names and synonyms

4 names

B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid
Boronic acid, B-[4-fluoro-2-(trifluoromethyl)phenyl]-
Boronic acid, [4-fluoro-2-(trifluoromethyl)phenyl]-
(4-Fluoro-2-trifluoromethylphenyl)boronic acid

Work with 4-Fluoro-2-(trifluoromethyl)benzeneboronic 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-Bis(trifluoromethyl)phenylboronic acid153254-09-266 % similar 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-657 % similar 2-Trifluoromethylphenylboronic acid1423-27-456 % similar 2,4-Difluorophenylboronic acid144025-03-656 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-755 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-453 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-853 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-153 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzeneboronic acid157834-21-4 B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-6 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-7 2-Fluoro-4-(trifluoromethyl)benzeneboronic acid503309-11-3

Elsewhere

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