3-(Trifluoromethoxy)fluorobenzene

C₇H₄F₄OCAS 1077-01-6180.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄F₄O
Molar mass: 180.10 g/mol
Exact mass: 180.0198 Da
logP: 2.72Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1077-01-6

SMILES

C1=CC(=CC(=C1)F)OC(F)(F)F

InChIKey

AUKDFDQPJWJEDH-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

1-Fluoro-3-(trifluoromethoxy)benzene

Work with 3-(Trifluoromethoxy)fluorobenzene

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

3-(Trifluoromethoxy)benzenethiol220239-66-762 % similar 3-(Trifluoromethoxy)aniline1535-73-560 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-060 % similar (Trifluoromethoxy)benzene456-55-358 % similar 1-Fluoro-3-methoxybenzene456-49-552 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-850 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-447 % similar 1-Ethoxy-3-fluorobenzene458-03-747 % similar

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

Same formula

4-Fluoro-2-(trifluoromethyl)phenol130047-19-7 2-Fluoro-5-(trifluoromethyl)phenol141483-15-0 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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