1-Chloro-3,3,3-trifluoroacetone

C₃H₂ClF₃OCAS 431-37-8146.49 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃H₂ClF₃O
Molar mass: 146.49 g/mol
Exact mass: 145.9746 Da
logP: 1.36Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

431-37-8

SMILES

C(C(=O)C(F)(F)F)Cl

InChIKey

OONJVQFMOZAXOI-UHFFFAOYSA-N

InChI

InChI=1S/C3H2ClF3O/c4-1-2(8)3(5,6)7/h1H2

Weigh it out

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

Work with 1-Chloro-3,3,3-trifluoroacetone

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

Hexafluoroacetylacetone1522-22-157 % similar 1-Chloropinacolone13547-70-152 % similar 1,1,1,3-Tetrachloroacetone16995-35-052 % similar 1,1,1-Trifluorobutan-2-one381-88-450 % similar 3-Bromo-1,1,1-trifluoro-2-propanone431-35-650 % similar 2-Chloro-1-(1-chlorocyclopropyl)ethanone120983-72-448 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-446 % similar 1,1,1-Trifluoroacetylacetone367-57-744 % similar

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

Elsewhere

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