2-Chloro-1-(2,4-difluorophenyl)ethanone

C8H5ClF2OCAS 51336-94-8190.57 g/mol

Open in Covalent MOL file
OClFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H5ClF2O
Molar mass
190.57 g/mol
Exact mass
189.9997 Da
Melting point
46–47 °C
logP
2.39Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
51336-94-8
SMILES
O=C(CCl)c1ccc(F)cc1F
InChIKey
UENGBOCGGKLVJJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 2-chloro-1-(2,4-difluorophenyl)-
  • 2-Chloro-2′,4′-difluoroacetophenone
  • Chloromethyl 2,4-difluorophenyl ketone
  • α-Chloro-2,4-difluoroacetophenone
  • 2-Chloro-1-(2,4-difluorophenyl)ethan-1-one
  • 1-(2,4-Difluorophenyl)-2-chloroethan-1-one

Work with 2-Chloro-1-(2,4-difluorophenyl)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-Bromo-2',4'-difluoroacetophenone102429-07-266 % similar 2-Amino-2',4'-difluoroacetophenone643029-92-966 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-066 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-659 % similar 2,4-Difluorobenzoyl chloride72482-64-557 % similar 2-Chloro-4′-fluoroacetophenone456-04-256 % similar 2,4-Difluorobenzoic acid1583-58-053 % similar 1-(2,4-Difluorophenyl)ethanone364-83-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Chloro-4',5'-difluoroacetophenone121872-94-4 3'-Chloro-2',6'-difluoroacetophenone177942-50-6 2,3-Difluoro-4-methylbenzoyl chloride261763-38-6 2,6-Difluoro-3-methylbenzoyl chloride261763-39-7 2-Chloro-2,2-difluoroacetophenone384-67-8 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-9 2-Chloro-2',5'-difluoroacetophenone60468-36-2 4'-Chloro-2',5'-difluoroacetophenone655-12-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook