chempirical

1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate

C8H10F4O4CAS 377-71-9246.16 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C8H10F4O4
Molar mass
246.16 g/mol
Exact mass
246.0515 Da
Density
1.264 g/mL (at 20 °C)
Boiling point
89 °C (at 15 Torr)
logP
1.38Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
377-71-9
SMILES
CCOC(=O)C(F)(F)C(F)(F)C(=O)OCC
InChIKey
BLZSSBPZHBFNBN-UHFFFAOYSA-N
InChI
InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Butanedioic acid, 2,2,3,3-tetrafluoro-, 1,4-diethyl ester
  • Succinic acid, tetrafluoro-, diethyl ester
  • Butanedioic acid, tetrafluoro-, diethyl ester
  • Diethyl tetrafluorosuccinate

Work with 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate

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

1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-880 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-380 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-471 % similar Ethyl trifluoroacetate383-63-168 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-767 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-567 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-067 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-061 % similar

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

Elsewhere

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