chempirical

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

C9H5F13O2CAS 41430-70-0392.12 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFF
Alkyl halideEster

Properties

Molecular formula
C9H5F13O2
Molar mass
392.12 g/mol
Exact mass
392.0082 Da
Boiling point
87 °C (at 20 Torr)
logP
4.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
41430-70-0
SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
ZESCSNXJAROIJS-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3

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

Names and synonyms

4 names
  • Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, ethyl ester
  • Heptanoic acid, tridecafluoro-, ethyl ester
  • Ethyl perfluoroheptanoate
  • Ethyl tridecafluoroheptanoate

Work with Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

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-heptadecafluorononanoate30377-52-7100 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-5100 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-487 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-877 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-371 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-967 % similar Methyl perfluorotetradecanoate203302-99-262 % similar Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate307-79-962 % similar

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

Elsewhere

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