chempirical

Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate

C7H7F5O3CAS 663-35-4234.12 g/mol

Open in Covalent MOL file
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Alkyl halideEsterKetone

Properties

Molecular formula
C7H7F5O3
Molar mass
234.12 g/mol
Exact mass
234.0315 Da
logP
1.71Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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
663-35-4
SMILES
CCOC(=O)CC(=O)C(C(F)(F)F)(F)F
InChIKey
MWGSZQXKIYWSFS-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F5O3/c1-2-15-5(14)3-4(13)6(8,9)7(10,11)12/h2-3H2,1H3

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Names and synonyms

1 names
  • Ethyl pentafluoropropionylacetate

Work with Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate

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

Ethyl heptafluorobutyrylacetate336-62-979 % similar Ethyl 4,4,4-trifluoroacetoacetate372-31-667 % similar Ethyl pivaloylacetate17094-34-761 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-356 % similar Diethyl malonate105-53-353 % similar Ethyl 3,3,3-trifluoropropionate352-23-849 % similar Diethyl 1,3-acetonedicarboxylate105-50-048 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-447 % similar

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

Elsewhere

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