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

C₉H₅Cl₂F₃OCAS 175205-88-6257.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₅Cl₂F₃O
Molar mass: 257.03 g/mol
Exact mass: 255.9670 Da
logP: 4.21Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

Weigh it out

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

Names and synonyms

2 names

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

1-(2,6-Dichlorophenyl)ethanone2040-05-358 % similar Bis (trifluoromethyl)acetophenone30071-93-358 % 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 3,4,5-Trichlorobenzotrifluoride50594-82-650 % similar 4-(Trifluoromethyl)acetophenone709-63-749 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-748 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook