2-Chloro-2,2-difluoroacetophenone

C8H5ClF2OCAS 384-67-8190.57 g/mol

Open in Covalent MOL file
OFFCl
Alkyl halideKetone

Properties

Molecular formula
C8H5ClF2O
Molar mass
190.57 g/mol
Exact mass
189.9997 Da
logP
2.70Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
384-67-8
SMILES
C1=CC=C(C=C1)C(=O)C(F)(F)Cl
InChIKey
MNOONJNILVDLSW-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Work with 2-Chloro-2,2-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

2,2,2-Trifluoro-1-phenylethanone434-45-761 % similar 2,2,3,3,3-Pentafluoro-1-phenylpropan-1-one394-52-555 % similar 1,2,2,2-Tetraphenylethanone466-37-550 % similar 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one559-91-150 % similar 2,2-Dimethyl-1-phenyl-1-propanone938-16-950 % similar 2-Bromoisobutyrophenone10409-54-845 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-545 % similar 2,2-Dimethyl-1-phenylbutan-1-one829-10-743 % 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-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

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