2-Fluoro-4-(trifluoromethyl)benzeneboronic acid

C₇H₅BF₄O₂CAS 503309-11-3207.92 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

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

503309-11-3

SMILES

B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O

InChIKey

SSFSVKVWAURAAM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

2-Fluoro-4-(trifluoromethyl)phenylboronic acid

Work with 2-Fluoro-4-(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 [2-Chloro-4-(trifluoromethyl)phenyl]boronic acid254993-59-462 % similar 2-Methyl-4-(trifluoromethyl)phenylboronic acid957034-45-662 % similar 2-Chloro-5-(trifluoromethyl)phenylboronic acid182344-18-957 % similar 2-Methoxy-5-(trifluoromethyl)phenylboronic acid240139-82-657 % similar (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-357 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar 2,4-Difluorophenylboronic acid144025-03-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzeneboronic acid157834-21-4 4-Fluoro-2-(trifluoromethyl)benzeneboronic acid182344-16-7 B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-6 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-7

Elsewhere

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