chempirical

3,5-Bis(trifluoromethyl)phenylboronic acid pinacol ester

C14H15BF6O2CAS 69807-91-6340.07 g/mol

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Alkyl halideBoronic ester

Properties

Molecular formula
C14H15BF6O2
Molar mass
340.07 g/mol
Exact mass
340.1069 Da
logP
4.02Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69807-91-6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChIKey
GGMXSSNJKVWXMD-UHFFFAOYSA-N
InChI
InChI=1S/C14H15BF6O2/c1-11(2)12(3,4)23-15(22-11)10-6-8(13(16,17)18)5-9(7-10)14(19,20)21/h5-7H,1-4H3

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Names and synonyms

1 names
  • 2-(3,5-Bis(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Work with 3,5-Bis(trifluoromethyl)phenylboronic acid pinacol ester

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

4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-370 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-868 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-263 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-055 % similar 2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-51-852 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-850 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-349 % similar 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269410-25-547 % similar

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

Elsewhere

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