Ethyl heptafluorobutyrylacetate

C8H7F7O3CAS 336-62-9284.13 g/mol

Open in Covalent MOL file
OOOFFFFFFF
Alkyl halideEsterKetone

Properties

Molecular formula
C8H7F7O3
Molar mass
284.13 g/mol
Exact mass
284.0283 Da
logP
2.34Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

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

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Identifiers

CAS number
336-62-9
SMILES
CCOC(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChIKey
CMGCMFZWEPCGSQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F7O3/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3

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Work with Ethyl heptafluorobutyrylacetate

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 4,4,5,5,5-Pentafluoro-3-oxovalerate663-35-479 % similar Ethyl 4,4,4-trifluoroacetoacetate372-31-661 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-459 % similar 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-357 % similar Ethyl pivaloylacetate17094-34-756 % similar 5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione356-30-955 % similar 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione20583-66-854 % similar Ethyl perfluoropentanoate424-36-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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