chempirical

B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid

C7H5BF4O2CAS 182344-23-6207.92 g/mol

Open in Covalent MOL file
HOBHOFFFF
Alkyl halideAryl halideBoronic acid

Properties

Molecular formula
C7H5BF4O2
Molar mass
207.92 g/mol
Exact mass
208.0319 Da
Density
1.5 g/mL
Melting point
267–269 °C
logP
0.52Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
182344-23-6
SMILES
OB(O)c1ccc(F)c(C(F)(F)F)c1
InChIKey
GUJYFCBXDUPORN-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BF4O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H

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

Names and synonyms

5 names
  • Boronic acid, B-[4-fluoro-3-(trifluoromethyl)phenyl]-
  • Boronic acid, [4-fluoro-3-(trifluoromethyl)phenyl]-
  • [4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid
  • 3-(Trifluoromethyl)-4-fluorophenylboronic acid
  • 4-Fluoro-3-(trifluoromethyl)benzeneboronic acid

Work with B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic 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

(3,4-Difluorophenyl)boronic acid168267-41-260 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-155 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-450 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-350 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-350 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-749 % similar 3-Trifluoromethylphenylboronic acid1423-26-349 % similar 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-546 % 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 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-7

Elsewhere

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