4-(Trifluoromethoxy)phenol

C₇H₅F₃O₂CAS 828-27-3178.11 g/mol

Open in Covalent MOL file

Alkyl halide Ether Phenol

Properties

Molecular formula: C₇H₅F₃O₂
Molar mass: 178.11 g/mol
Exact mass: 178.0242 Da
Boiling point: 90 °C (at 4.5 Torr)
logP: 2.29Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

828-27-3

SMILES

Oc1ccc(OC(F)(F)F)cc1

InChIKey

WDRJNKMAZMEYOF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H

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

Names and synonyms

3 names

Phenol, 4-(trifluoromethoxy)-
Phenol, p-(trifluoromethoxy)-
p-(Trifluoromethoxy)phenol

Work with 4-(Trifluoromethoxy)phenol

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-Bromo-4-(trifluoromethoxy)benzene407-14-762 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar 4-(Trifluoromethoxy)aniline461-82-556 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-956 % similar 4-(Trifluoromethoxy)benzenemethanol1736-74-955 % similar

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

Elsewhere

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