1-Fluoro-2-(trichloromethyl)benzene

C₇H₄Cl₃FCAS 488-98-2213.46 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

488-98-2

SMILES

Fc1ccccc1C(Cl)(Cl)Cl

InChIKey

JYLVSNNSOWDQQX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-fluoro-2-(trichloromethyl)-
Toluene, α,α,α-trichloro-o-fluoro-
o-Fluorobenzotrichloride
2-Fluorobenzotrichloride

Work with 1-Fluoro-2-(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

2-Fluorobenzotrifluoride392-85-856 % similar O-Chlorobenzotrichloride2136-89-250 % similar 1,2-Difluorobenzene367-11-348 % similar 1-(Dichloromethyl)-2-(trichloromethyl)benzene2741-57-345 % similar 1-Chloro-2-fluorobenzene348-51-642 % similar 2,2′-Difluoro-1,1′-biphenyl388-82-942 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-540 % similar Benzotrichloride98-07-740 % similar

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

Same formula

1-Fluoro-3-(trichloromethyl)benzene401-77-4 1-Fluoro-4-(trichloromethyl)benzene402-42-6

Elsewhere

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