chempirical

2-Fluoro-3-(trifluoromethyl)benzeneboronic acid

C7H5BF4O2CAS 157834-21-4207.92 g/mol

Open in Covalent MOL file
BFFFFHOHO
Alkyl halideAryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
157834-21-4
SMILES
B(C1=C(C(=CC=C1)C(F)(F)F)F)(O)O
InChIKey
PKARAEQMGHJHMY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BF4O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H

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Names and synonyms

1 names
  • 2-Fluoro-3-(trifluoromethyl)phenylboron&

Work with 2-Fluoro-3-(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-Trifluoromethylphenylboronic acid1423-27-467 % similar (2,3-Difluorophenyl)boronic acid121219-16-756 % similar 2-Fluoro-3-(trifluoromethyl)phenol207291-85-855 % similar 3-Chloro-2-fluorophenylboronic acid352535-82-155 % similar (3-Bromo-2-fluorophenyl)boronic acid352535-97-855 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-553 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-852 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-150 % 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 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-7

Elsewhere

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