4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane

C₁₂H₁₄BF₃O₂CAS 827614-70-0258.05 g/mol

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Aryl halide Boronic ester

Properties

Molecular formula: C₁₂H₁₄BF₃O₂
Molar mass: 258.05 g/mol
Exact mass: 258.1039 Da
logP: 2.40Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

827614-70-0

SMILES

CC1(C)OB(c2cc(F)c(F)c(F)c2)OC1(C)C

InChIKey

VFCTUUBAONBDJU-UHFFFAOYSA-N

InChI

InChI=1S/C12H14BF3O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,1-4H3

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Names and synonyms

2 names

1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-
(3,4,5-Trifluorophenyl)boronic acid pinacol ester

Work with 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane

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

2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-350 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-049 % similar 4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1231930-37-246 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-945 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-345 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-844 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-643 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-743 % similar

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

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