chempirical

1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone

C8H3Cl2F3OCAS 130336-16-2243.01 g/mol

Open in Covalent MOL file
OClClFFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H3Cl2F3O
Molar mass
243.01 g/mol
Exact mass
241.9513 Da
logP
3.74Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
130336-16-2
SMILES
O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIKey
DZDSQRPDUCSOQV-UHFFFAOYSA-N
InChI
InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-
  • 1-(3′,5′-Dichlorophenyl)-2,2,2-trifluoroethanone
  • 3′,5′-Dichloro-2,2,2-trifluoroacetophenone
  • 2,2,2-Trifluoro-1-(3,5-dichlorophenyl)ethanone
  • (3,5-Dichlorophenyl)-2,2,2-trifluoro-ethanone
  • 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-one

Work with 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone

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-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-974 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-966 % similar 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone1190865-44-159 % similar 2,2,2,3′-Tetrafluoroacetophenone708-64-552 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-750 % similar 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-347 % similar 3,5-Dichlorobenzoyl chloride2905-62-647 % similar 4′-Bromo-2,2,2-trifluoroacetophenone16184-89-745 % similar

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

Elsewhere

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