chempirical

Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

C5H3F7O2CAS 680-05-7228.07 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C5H3F7O2
Molar mass
228.07 g/mol
Exact mass
228.0021 Da
Boiling point
57–58 °C
logP
1.99Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
680-05-7
SMILES
COC(=O)C(F)(C(F)(F)F)C(F)(F)F
InChIKey
CGMUKBZUGMXXEF-UHFFFAOYSA-N
InChI
InChI=1S/C5H3F7O2/c1-14-2(13)3(6,4(7,8)9)5(10,11)12/h1H3

Weigh it out

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

Names and synonyms

3 names
  • Propanoic acid, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-, methyl ester
  • Propionic acid, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-, methyl ester
  • Methyl perfluoroisobutyrate

Work with Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2,2,3,3,3-pentafluoropropanoate378-75-662 % similar Dimethyl difluoromalonate379-95-356 % similar Methyl trifluoroacetate431-47-056 % similar Methyl 2-fluoroisobutyrate338-76-152 % 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 Methyl 2-chloro-2,2-difluoroacetate1514-87-050 % similar

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

Same formula

Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-1

Elsewhere

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