chempirical

3-Trifluoromethylphenylboronic acid

C7H6BF3O2CAS 1423-26-3189.93 g/mol

Open in Covalent MOL file
HOBHOFFF
Alkyl halideBoronic acid

Properties

Molecular formula
C7H6BF3O2
Molar mass
189.93 g/mol
Exact mass
190.0413 Da
logP
0.39Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1423-26-3
SMILES
OB(O)c1cccc(C(F)(F)F)c1
InChIKey
WOAORAPRPVIATR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H

Weigh it out

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

Names and synonyms

7 names
  • Boronic acid, B-[3-(trifluoromethyl)phenyl]-
  • m-Tolueneboronic acid, α,α,α-trifluoro-
  • Boronic acid, [3-(trifluoromethyl)phenyl]-
  • B-[3-(Trifluoromethyl)phenyl]boronic acid
  • 3-(Trifluoromethyl)benzeneboronic acid
  • [1-(Trifluoromethyl)phenyl-3-yl]boronic acid
  • (3-(Trifluormomethyl)phenyl)boronic acid

Work with 3-Trifluoromethylphenylboronic 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

3,5-Bis(trifluoromethyl)benzene402-31-358 % similar 3-Fluorophenylboronic acid768-35-453 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-353 % similar 3-(Trifluoromethyl)phenol98-17-952 % similar 2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-250 % similar 3-Fluorobenzotrifluoride401-80-950 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-649 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-749 % similar

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

Same formula

4-(Trifluoromethyl)phenylboronic acid128796-39-4 2-Trifluoromethylphenylboronic acid1423-27-4

Elsewhere

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