1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone

C9H5Cl2F3OCAS 175205-88-6257.03 g/mol

Open in Covalent MOL file
OClFFFCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C9H5Cl2F3O
Molar mass
257.03 g/mol
Exact mass
255.9670 Da
logP
4.21Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
175205-88-6
SMILES
CC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIKey
NREOBJSTBKEWNY-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2F3O/c1-4(15)8-6(10)2-5(3-7(8)11)9(12,13)14/h2-3H,1H3

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Names and synonyms

3 names
  • 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone
  • Ethanone, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-
  • 2,6-Dichloro-4-(trifluoromethyl)acetophenone

Work with 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone

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

2,6-Dichloro-4-(trifluoromethyl)benzamide157021-70-062 % similar 2'-Chloro-5'-(trifluoromethyl)acetophenone71648-45-859 % similar 2′,6′-Dichloroacetophenone2040-05-358 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one30071-93-358 % similar 2,6-Dichloro-4-(trifluoromethyl)phenacyl bromide175205-89-757 % similar 3'-(Trifluoromethyl)acetophenone349-76-851 % similar 4'-Chloro-3'-(trifluoromethyl)acetophenone129825-11-251 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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