chempirical

1-(4-Chlorophenyl)-2,2,2-trifluoroethanone

C8H4ClF3OCAS 321-37-9208.56 g/mol

Open in Covalent MOL file
OClFFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H4ClF3O
Molar mass
208.56 g/mol
Exact mass
207.9903 Da
Melting point
26 °C
Boiling point
180–183 °C
logP
3.08Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
321-37-9
SMILES
O=C(c1ccc(Cl)cc1)C(F)(F)F
InChIKey
DYPQUENOGZXOGE-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

Weigh it out

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

Names and synonyms

16 names · show all
  • Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-
  • Acetophenone, 4′-chloro-2,2,2-trifluoro-
  • p-Chloro-α,α,α-trifluoroacetophenone
  • 4′-Chloro-α,α,α-trifluoroacetophenone
  • α,α,α-Trifluoro-p-chloroacetophenone
  • p-Chlorophenyl trifluoromethyl ketone
  • Trifluoromethyl 4-chlorophenyl ketone
  • 4′-Chloro-2,2,2-trifluoroacetophenone
  • 4-Chlorophenyl trifluoromethyl ketone
  • NSC 405747
  • 2,2,2-Trifluoro-4′-chloroacetophenone
  • 1-Chloro-4-(trifluoroacetyl)benzene
  • 4-Chloro-α,α,α-trifluoroacetophenone
  • 2,2,2-Trifluoro-1-(4-chlorophenyl)ethanone
  • 1-(4-Chlorophenyl)-2,2,2-trifluoro-1-ethanone
  • 1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-one

Work with 1-(4-Chlorophenyl)-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-266 % similar 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-362 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-761 % similar 4′-Bromo-2,2,2-trifluoroacetophenone16184-89-760 % similar 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-260 % similar 1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-954 % similar 2,2,2,3′-Tetrafluoroacetophenone708-64-552 % similar 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone1190865-44-150 % similar

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

Same formula

3-(Trifluoromethyl)benzoyl chloride2251-65-2 2-(Trifluoromethyl)benzoyl chloride312-94-7 4-(Trifluoromethyl)benzoyl chloride329-15-7 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook