chempirical

Methyl trifluoroacetate

C3H3F3O2CAS 431-47-0128.05 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEster

Properties

Molecular formula
C3H3F3O2
Molar mass
128.05 g/mol
Exact mass
128.0085 Da
Boiling point
43.25 °C
logP
0.72Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
431-47-0
SMILES
COC(=O)C(F)(F)F
InChIKey
VMVNZNXAVJHNDJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3

Weigh it out

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

Names and synonyms

4 names
  • Acetic acid, 2,2,2-trifluoro-, methyl ester
  • Acetic acid, trifluoro-, methyl ester
  • Methyl perfluoroacetate
  • Methyl 2,2,2-trifluoroacetate

Work with Methyl trifluoroacetate

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

Dimethyl difluoromalonate379-95-364 % similar Methyl 2-fluoroisobutyrate338-76-158 % similar Trifluoroacetic anhydride407-25-057 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-056 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-656 % similar Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate680-05-756 % similar Methyl pivalate598-98-152 % similar 1,1′-Dimethyl 2,2′-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoroacetate]24647-20-952 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook