chempirical

1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate

C9H10F6O4CAS 424-40-8296.17 g/mol

Open in Covalent MOL file
OOFFFFFFOO
Alkyl halideEster

Properties

Molecular formula
C9H10F6O4
Molar mass
296.17 g/mol
Exact mass
296.0483 Da
Boiling point
76 °C (at 5 Torr)
logP
2.02Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
424-40-8
SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC
InChIKey
MSDPXVBLFJODJO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Pentanedioic acid, 2,2,3,3,4,4-hexafluoro-, 1,5-diethyl ester
  • Glutaric acid, hexafluoro-, diethyl ester
  • Pentanedioic acid, hexafluoro-, diethyl ester
  • Diethyl hexafluoroglutarate
  • Diethyl perfluoroglutarate
  • NSC 63360

Work with 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate

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 2,2,3,3,4,4,4-heptafluorobutanoate356-27-482 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-980 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-777 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-577 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-077 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-371 % similar Ethyl trifluoroacetate383-63-161 % similar 3,3,4,4,5,5-Hexafluorodihydro-2H-pyran-2,6(3H)-dione376-68-156 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook