2-Chloro-4-fluoro-1-(trifluoromethyl)benzene

C₇H₃ClF₄CAS 94444-58-3198.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₄
Molar mass: 198.54 g/mol
Exact mass: 197.9859 Da
logP: 3.50Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

94444-58-3

SMILES

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

InChIKey

UHHZGIHGBLCIJM-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF4/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H

Weigh it out

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Names and synonyms

1 names

2-Chloro-4-fluorobenzotrifluoride

Work with 2-Chloro-4-fluoro-1-(trifluoromethyl)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-Chloro-4-fluorobenzotrichloride88578-92-166 % similar 2,4-Dichlorobenzotrifluoride320-60-562 % similar 2-Chloro-4-methylbenzotrifluoride74483-46-860 % similar 2,4-Difluorobenzotrifluoride64248-61-959 % similar 3-Chloro-4-trifluoromethylaniline445-13-658 % similar 4-Bromo-2-chlorobenzotrifluoride467435-07-058 % similar 2-Chlorobenzotrifluoride88-16-457 % similar 1,2-Dichloro-4-fluorobenzene1435-49-056 % similar

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

Same formula

4-Chloro-3-fluorobenzotrifluoride32137-20-5 3-Chloro-4-fluorobenzotrifluoride78068-85-6 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-2 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-3 4-Chloro-2-fluorobenzotrifluoride94444-59-4

Elsewhere

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