chempirical

2-Chloro-2',5'-difluoroacetophenone

C8H5ClF2OCAS 60468-36-2190.57 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
49–50 °C
logP
2.39Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
60468-36-2
SMILES
O=C(CCl)c1cc(F)ccc1F
InChIKey
HJWDDTDVBUFTCP-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClF2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2

Weigh it out

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

Names and synonyms

3 names
  • 2-Chloro-1-(2,5-difluorophenyl)ethanone
  • Ethanone, 2-chloro-1-(2,5-difluorophenyl)-
  • 2-Chloro-1-(2,5-difluorophenyl)ethan-1-one

Work with 2-Chloro-2',5'-difluoroacetophenone

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-(2,5-Difluorophenyl)-1-propanone29112-90-166 % similar 2,5-Difluorobenzoyl chloride35730-09-757 % similar 2-Chloro-4′-fluoroacetophenone456-04-256 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-853 % similar 2,5-Difluorobenzoic acid2991-28-853 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-249 % similar 2-Amino-2',4'-difluoroacetophenone643029-92-949 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-049 % 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-(2,4-difluorophenyl)ethanone51336-94-8 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-9 4'-Chloro-2',5'-difluoroacetophenone655-12-9

Elsewhere

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