4-(2,2,2-Trifluoroethoxy)benzeneboronic acid

C₈H₈BF₃O₃CAS 886536-37-4219.95 g/mol

Open in Covalent MOL file

Alkyl halide Boronic acid Ether

Properties

Molecular formula: C₈H₈BF₃O₃
Molar mass: 219.95 g/mol
Exact mass: 220.0519 Da
logP: 0.31Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

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

886536-37-4

SMILES

B(C1=CC=C(C=C1)OCC(F)(F)F)(O)O

InChIKey

DWRAMTYYMNLVBD-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14/h1-4,13-14H,5H2

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Names and synonyms

1 names

4-(2,2,2-Trifluoroethoxy)phenylboronic acid

Work with 4-(2,2,2-Trifluoroethoxy)benzeneboronic 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

1,4-Bis(2,2,2-trifluoroethoxy)benzene66300-61-667 % similar 4-Trifluoromethoxyphenylboronic acid139301-27-255 % similar 4-Ethoxyphenylboronic acid22237-13-455 % similar 4-Propoxyphenylboronic acid186497-67-651 % similar 4-Benzyloxy-phenylboronic acid146631-00-750 % similar B-(4-Butoxyphenyl)boronic acid105365-51-349 % similar (4-Pentyloxyphenyl)boronic acid146449-90-347 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-746 % similar

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

Same formula

3-Trifluoromethyl-4-methoxy-phenylboronic acid149507-36-8 2-Methoxy-5-(trifluoromethyl)phenylboronic acid240139-82-6 (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-3 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-6

Elsewhere

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