2-Fluoro-5-(trifluoromethyl)phenylboronic acid

C₇H₅BF₄O₂CAS 352535-96-7207.92 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

Identifiers

CAS number

352535-96-7

SMILES

OB(O)c1cc(C(F)(F)F)ccc1F

InChIKey

KUHVVLFCTMTYGR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-[2-fluoro-5-(trifluoromethyl)phenyl]-
Boronic acid, [2-fluoro-5-(trifluoromethyl)phenyl]-
B-[2-Fluoro-5-(trifluoromethyl)phenyl]boronic acid
2-Fluoro-5-(trifluoromethyl)benzeneboronic acid

Work with 2-Fluoro-5-(trifluoromethyl)phenylboronic 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 acid153254-09-261 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-653 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-450 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-650 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-749 % similar 3-Trifluoromethylphenylboronic acid1423-26-349 % similar (2,4,5-Trifluorophenyl)boronic acid247564-72-348 % similar

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

Same formula

B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid182344-16-7 B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-6

Elsewhere

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