chempirical

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate

C11H5F17O2CAS 30377-52-7492.13 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C11H5F17O2
Molar mass
492.13 g/mol
Exact mass
492.0018 Da
Boiling point
105 °C (at 20 Torr)
logP
5.56Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
30377-52-7
SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
DRLDSHOYANTUND-UHFFFAOYSA-N
InChI
InChI=1S/C11H5F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H2,1H3

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

Names and synonyms

5 names
  • Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, ethyl ester
  • Nonanoic acid, heptadecafluoro-, ethyl ester
  • Ethyl perfluorononanoate
  • Ethyl perfluoropelargonate
  • Ethyl perfluorononan-1-oate

Work with Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate

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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-5100 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-0100 % 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

Same formula

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid34598-33-9

Elsewhere

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