chempirical

Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate

C5H6F4O3CAS 755-73-7190.09 g/mol

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Alkyl halideEsterEther

Properties

Molecular formula
C5H6F4O3
Molar mass
190.09 g/mol
Exact mass
190.0253 Da
Boiling point
66–71 °C (at 49 Torr)
logP
1.03Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
755-73-7
SMILES
COC(=O)C(F)(F)C(F)(F)OC
InChIKey
NDNOUXQCMAHOSA-UHFFFAOYSA-N
InChI
InChI=1S/C5H6F4O3/c1-11-3(10)4(6,7)5(8,9)12-2/h1-2H3

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Names and synonyms

5 names
  • Propanoic acid, 2,2,3,3-tetrafluoro-3-methoxy-, methyl ester
  • Propionic acid, 2,2,3,3-tetrafluoro-3-methoxy-, methyl ester
  • Methyl 3-methoxyperfluoropropionate
  • Methyl 3-methoxytetrafluoropropionate
  • Methyl 2,2,3,3-tetrafluoro-3-methoxypropionate

Work with Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate

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

Methyl 2,2,3,3,3-pentafluoropropanoate378-75-661 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-155 % similar 1,1′-Dimethyl 2,2′-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoroacetate]24647-20-952 % similar Methyl perfluorotetradecanoate203302-99-252 % similar Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate307-79-952 % similar Methyl perfluorooctanoate376-27-252 % similar Dimethyl difluoromalonate379-95-350 % similar Methyl trifluoroacetate431-47-050 % similar

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

Elsewhere

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