chempirical

1,1′-Dimethyl 2,2′-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoroacetate]

C8H6F8O6CAS 24647-20-9350.12 g/mol

Open in Covalent MOL file
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Alkyl halideEsterEther

Properties

Molecular formula
C8H6F8O6
Molar mass
350.12 g/mol
Exact mass
350.0037 Da
logP
1.74Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
24647-20-9
SMILES
COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)OC
InChIKey
QSOLRJAJYGNQPD-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F8O6/c1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2/h1-2H3

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Names and synonyms

4 names
  • Acetic acid, 2,2′-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoro-, 1,1′-dimethyl ester
  • Acetic acid, [(tetrafluoroethylene)dioxy]bis[difluoro-, dimethyl ester
  • Acetic acid, 2,2′-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoro-, dimethyl ester
  • Dimethyl perfluoro-3,6-dioxasuberimidate

Work with 1,1′-Dimethyl 2,2′-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoroacetate]

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

Dimethyl difluoromalonate379-95-352 % similar Methyl trifluoroacetate431-47-052 % similar Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate755-73-752 % similar Methyl 2-fluoroisobutyrate338-76-148 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-047 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-647 % similar Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate680-05-747 % similar Methyl pivalate598-98-143 % similar

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

Elsewhere

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