chempirical

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

C10H5F15O2CAS 3108-24-5442.12 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C10H5F15O2
Molar mass
442.12 g/mol
Exact mass
442.0050 Da
Density
1.623 g/mL (at 25 °C)
Boiling point
74–76 °C (at 18 Torr)
logP
4.92Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
3108-24-5
SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JTOFFHFAQBLPTM-UHFFFAOYSA-N
InChI
InChI=1S/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester
  • Octanoic acid, pentadecafluoro-, ethyl ester
  • Ethyl perfluorooctanoate
  • Ethyl pentadecafluorooctanoate

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

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

Elsewhere

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