chempirical

(2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate

C4HF6NO3CAS 684-78-6225.05 g/mol

Open in Covalent MOL file
OONHOFFFFFF
Alkyl halideOxime

Properties

Molecular formula
C4HF6NO3
Molar mass
225.05 g/mol
Exact mass
224.9861 Da
Melting point
62 °C (sublimes)
logP
1.53Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
684-78-6
SMILES
O=C(ON=C(O)C(F)(F)F)C(F)(F)F
InChIKey
CYSAMXITKBXZOP-UHFFFAOYSA-N
InChI
InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2,2,2-trifluoro-, (2,2,2-trifluoroacetyl)azanyl ester
  • Hydroxylamine, N,O-bis(trifluoroacetyl)-
  • Acetamide, 2,2,2-trifluoro-N-[(trifluoroacetyl)oxy]-
  • N,O-Bis(trifluoroacetyl)hydroxylamine
  • [(2,2,2-Trifluoroacetyl)amino] 2,2,2-trifluoroacetate
  • 2,2,2-Trifluoro-N-(2,2,2-trifluoroacetoxy)acetamide

Work with (2,2,2-Trifluoroacetyl)azanyl 2,2,2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,2-Trifluoro-N-(hydroxymethyl)acetamide50667-69-138 % similar 2,2,2-Trifluoroethyl trifluoroacetate407-38-536 % similar 2,2,2-Trifluoro-N-phenylacetamide404-24-034 % similar (Bis(trifluoroacetoxy)iodo)benzene2712-78-934 % similar 2-(Trifluoromethyl)acrylic acid381-98-630 % similar 3,3,4,4-Tetrafluorodihydro-2,5-furandione699-30-930 % similar

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

Elsewhere

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