chempirical

Trifluoroacetic anhydride

C4F6O3CAS 407-25-0210.03 g/mol

Open in Covalent MOL file
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Acid anhydrideAlkyl halide

Properties

Molecular formula
C4F6O3
Molar mass
210.03 g/mol
Exact mass
209.9752 Da
Density
1.49 g/mL (at 25 °C)
Melting point
−65 °C
Boiling point
39.5 °C
logP
1.18Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
407-25-0
SMILES
O=C(OC(=O)C(F)(F)F)C(F)(F)F
InChIKey
QAEDZJGFFMLHHQ-UHFFFAOYSA-N
InChI
InChI=1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10

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Names and synonyms

10 names
  • Acetic acid, 2,2,2-trifluoro-, 1,1′-anhydride
  • Acetic acid, trifluoro-, anhydride
  • Perfluoroacetic anhydride
  • Trifluoroacetic acid anhydride
  • Hexafluoroacetic anhydride
  • Trifluoroacetyl anhydride
  • Bis(trifluoroacetic) anhydride
  • 2,2,2-Trifluoroacetic anhydride
  • NSC 96965
  • (2,2,2-Trifluoroacetyl) 2,2,2-trifluoroacetate

Work with Trifluoroacetic anhydride

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

3,3,4,4-Tetrafluorodihydro-2,5-furandione699-30-958 % similar Methyl trifluoroacetate431-47-057 % similar Chlorodifluoroacetic anhydride2834-23-350 % similar Pentafluoropropionic anhydride356-42-350 % similar 3,3,4,4,5,5-Hexafluorodihydro-2H-pyran-2,6(3H)-dione376-68-150 % similar Ethyl trifluoroacetate383-63-150 % similar Isopropyl trifluoroacetate400-38-450 % similar Trimethyl(trifluoroacetato)silane400-53-350 % similar

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

Elsewhere

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