chempirical

4,4,5,5-Tetramethyl-2-(4-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane

C14H18BF3O2CAS 475250-46-5286.10 g/mol

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BOOFFF
Alkyl halideBoronic ester

Properties

Molecular formula
C14H18BF3O2
Molar mass
286.10 g/mol
Exact mass
286.1352 Da
logP
3.88Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
475250-46-5
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)C(F)(F)F
InChIKey
KHVVNJIGKHWRRS-UHFFFAOYSA-N
InChI
InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18/h5-8H,9H2,1-4H3

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Names and synonyms

1 names
  • 4-(Trifluoromethyl)benzylboronic acid pinacol ester

Work with 4,4,5,5-Tetramethyl-2-(4-(trifluoromethyl)benzyl)-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-[(4-Fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane243145-83-765 % similar Benzylboronic acid pinacol ester87100-28-561 % similar 3,5-Bis(trifluoromethyl)phenylboronic acid pinacol ester69807-91-645 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-344 % similar 4-(Trifluoromethyl)benzylamine3300-51-443 % similar 4-(Trifluoromethyl)benzenemethanol349-95-143 % similar 4-(Trifluoromethyl)benzyl bromide402-49-343 % similar 2-[4-(Trifluoromethyl)phenyl]ethan-1-amine775-00-842 % similar

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

Elsewhere

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