4-Fluoro-2-(trifluoromethyl)phenol

C₇H₄F₄OCAS 130047-19-7180.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₇H₄F₄O
Molar mass: 180.10 g/mol
Exact mass: 180.0198 Da
logP: 2.55Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

130047-19-7

SMILES

C1=CC(=C(C=C1F)C(F)(F)F)O

InChIKey

RNOVGJWJVRESAA-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H

Weigh it out

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

Work with 4-Fluoro-2-(trifluoromethyl)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

1,4-Difluoro-2-(trifluoromethyl)benzene393-38-459 % similar 4-Fluoro-1,2-benzenediol367-32-856 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-555 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-555 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-355 % similar B-[4-Fluoro-2-(trifluoromethyl)phenyl]boronic acid182344-16-755 % similar 4-Hydroxy-3-(trifluoromethyl)benzonitrile124811-71-853 % similar 2,4-Difluorophenol367-27-152 % similar

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

Same formula

3-(Trifluoromethoxy)fluorobenzene1077-01-6 2,3,5,6-Tetrafluoroanisole2324-98-3 1-Fluoro-4-(trifluoromethoxy)benzene352-67-0 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-2 2,3,4,5-Tetrafluorobenzenemethanol53072-18-7 4-Fluoro-3-(trifluoromethyl)phenol61721-07-1

Elsewhere

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