chempirical

Ethyl perfluoropentanoate

C7H5F9O2CAS 424-36-2292.10 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C7H5F9O2
Molar mass
292.10 g/mol
Exact mass
292.0146 Da
logP
3.02Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
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
424-36-2
SMILES
CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChIKey
JBEYNXOZKKQLOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F9O2/c1-2-18-3(17)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3

Weigh it out

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Work with Ethyl perfluoropentanoate

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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-797 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-597 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-097 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-490 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-879 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-373 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-969 % similar Ethyl hexafluoroglutaryl chloride18381-53-864 % similar

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

Elsewhere

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