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

C₅H₅ClF₂O₂CAS 2375-76-0170.54 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₅H₅ClF₂O₂
Molar mass: 170.54 g/mol
Exact mass: 169.9946 Da
logP: 1.37Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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 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 Chlorodifluoroacetic anhydride2834-23-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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