chempirical

3,3,4,5,5,5-Hexafluoropentan-2-one

C5H4F6OCAS 60249-67-4194.08 g/mol

Open in Covalent MOL file
OFFFFFF
Alkyl halideKetone

Properties

Molecular formula
C5H4F6O
Molar mass
194.08 g/mol
Exact mass
194.0166 Da
logP
2.11Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
60249-67-4
SMILES
CC(=O)C(C(C(F)(F)F)F)(F)F
InChIKey
XHYIGFFINCTUHK-UHFFFAOYSA-N
InChI
InChI=1S/C5H4F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h3H,1H3

Weigh it out

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

Work with 3,3,4,5,5,5-Hexafluoropentan-2-one

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

1,1,1,2,3,3,3-Heptafluoropropane431-89-042 % similar Trifluoroacetone421-50-141 % similar 2,2,3,4,4,4-Hexafluorobutyl methacrylate36405-47-736 % similar 1,1,2,3,3,3-Hexafluoropropyl methyl ether382-34-334 % similar 1-(2H-Perfluoropropyl)ethanol2711-81-133 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-933 % similar Ethyl 1,1,2,3,3,3-hexafluoropropyl ether380-34-732 % similar Methyl perfluorobutyl ketone678-18-232 % similar

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

Elsewhere

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