3'-Chloro-2',6'-difluoroacetophenone

C8H5ClF2OCAS 177942-50-6190.57 g/mol

Open in Covalent MOL file
OFClF
Aryl halideKetone

Properties

Molecular formula
C8H5ClF2O
Molar mass
190.57 g/mol
Exact mass
189.9997 Da
logP
2.82Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
177942-50-6
SMILES
CC(=O)C1=C(C=CC(=C1F)Cl)F
InChIKey
GZGJXQFBPXHWRR-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClF2O/c1-4(12)7-6(10)3-2-5(9)8(7)11/h2-3H,1H3

Weigh it out

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

Work with 3'-Chloro-2',6'-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-(2,3,6-Trifluorophenyl)ethanone208173-22-271 % similar 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-766 % similar 2'-Chloro-6'-fluoroacetophenone87327-69-365 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-063 % similar 3-Chloro-2,6-difluorobenzoic acid225104-76-761 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-059 % similar 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-156 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Chloro-4',5'-difluoroacetophenone121872-94-4 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 2-Chloro-2',5'-difluoroacetophenone60468-36-2 4'-Chloro-2',5'-difluoroacetophenone655-12-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook