2'-Chloro-5'-(trifluoromethyl)acetophenone

C₉H₆ClF₃OCAS 71648-45-8222.59 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₆ClF₃O
Molar mass: 222.59 g/mol
Exact mass: 222.0059 Da
logP: 3.56Crippen estimate
Polar surface area: 17.1 Å²
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. Search the SDS library

Identifiers

CAS number

71648-45-8

SMILES

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

InChIKey

YRGBMTWHOFQSDJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3

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

Names and synonyms

1 names

Acetophenone, 2-chloro-5-trifluoromethyl-

Work with 2'-Chloro-5'-(trifluoromethyl)acetophenone

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'-Fluoro-5'-(trifluoromethyl)acetophenone202664-53-765 % similar 2-Chloro-5-(trifluoromethyl)benzoyl chloride657-05-665 % similar 2-Chloro-5-(trifluoromethyl)benzoic acid657-06-763 % similar 2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-461 % similar 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone175205-88-659 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-459 % similar 3′-(Trifluoromethyl)acetophenone349-76-859 % similar 2-Chloro-5-(trifluoromethyl)benzophenone789-96-859 % similar

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

Same formula

4'-Chloro-3'-(trifluoromethyl)acetophenone129825-11-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook