chempirical

4-Chloro-2-fluorobenzotrifluoride

C7H3ClF4CAS 94444-59-4198.54 g/mol

Open in Covalent MOL file
ClFFFF
Alkyl halideAryl 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 Ų
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
94444-59-4
SMILES
C1=CC(=C(C=C1Cl)F)C(F)(F)F
InChIKey
VRVYSPQZUGVNKJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

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Names and synonyms

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

Work with 4-Chloro-2-fluorobenzotrifluoride

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

4-Chloro-2-fluoro-1-(trichloromethyl)benzene179111-13-866 % similar 2,4-Dichlorobenzotrifluoride320-60-562 % similar 2,4-Difluorobenzotrifluoride64248-61-959 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-357 % similar 4-Chloro-1,2-difluorobenzene696-02-656 % similar 4-Bromo-2-fluorobenzotrifluoride142808-15-955 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-355 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-153 % 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 2-Chloro-4-fluoro-1-(trifluoromethyl)benzene94444-58-3

Elsewhere

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