1-Fluoro-3-(trichloromethyl)benzene

C₇H₄Cl₃FCAS 401-77-4213.46 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₄Cl₃F
Molar mass: 213.46 g/mol
Exact mass: 211.9363 Da
logP: 3.65Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

401-77-4

SMILES

Fc1cccc(C(Cl)(Cl)Cl)c1

InChIKey

JRTYPYSADXRJBQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl3F/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-fluoro-3-(trichloromethyl)-
Toluene, α,α,α-trichloro-m-fluoro-
m-Fluorobenzotrichloride
3-Fluorobenzotrichloride
α,α,α-Trichloro-m-fluorotoluene

Work with 1-Fluoro-3-(trichloromethyl)benzene

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

1,3-Bis(trichloromethyl)benzene881-99-268 % similar 1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-859 % similar 3-Fluorobenzotrifluoride401-80-958 % similar 1,3-Difluorobenzene372-18-950 % similar Benzotrichloride98-07-750 % similar 1,2-Dichloro-4-(trichloromethyl)benzene13014-24-946 % similar 1-Chloro-3-fluorobenzene625-98-946 % similar 1-Bromo-3-fluorobenzene1073-06-944 % similar

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

Same formula

1-Fluoro-4-(trichloromethyl)benzene402-42-6 1-Fluoro-2-(trichloromethyl)benzene488-98-2

Elsewhere

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