1-Chloro-1,1-difluoro-2,4-pentanedione

C5H5ClF2O2CAS 2375-76-0170.54 g/mol

Open in Covalent MOL file
OOFFCl
Alkyl halideKetone

Properties

Molecular formula
C5H5ClF2O2
Molar mass
170.54 g/mol
Exact mass
169.9946 Da
logP
1.37Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
2375-76-0
SMILES
CC(=O)CC(=O)C(F)(F)Cl
InChIKey
ZPBKLXPYUKILDE-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClF2O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-Chloro-1,1-difluoropentane-2,4-dione

Work with 1-Chloro-1,1-difluoro-2,4-pentanedione

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

1,1,1-Trifluoroacetylacetone367-57-761 % similar 5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione356-30-950 % similar Acetylacetone123-54-644 % similar 4,4,4-Trifluorobutan-2-one2366-70-340 % similar 1,3-Dichlorotetrafluoroacetone127-21-939 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-538 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-037 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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