Bis(trifluoroacetyl)imide

C₄HF₆NO₂CAS 407-24-9209.05 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₄HF₆NO₂
Molar mass: 209.05 g/mol
Exact mass: 208.9911 Da
Melting point: 85 °C
Boiling point: 135–136 °C (at 744 Torr)
logP: 1.59Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

407-24-9

SMILES

O=C(N=C(O)C(F)(F)F)C(F)(F)F

InChIKey

GMQVFHZSXKJCIV-UHFFFAOYSA-N

InChI

InChI=1S/C4HF6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h(H,11,12,13)

Weigh it out

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

Names and synonyms

7 names

Acetamide, 2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)-
Diacetamide, 2,2,2,2′,2′,2′-hexafluoro-
Acetamide, 2,2,2-trifluoro-N-(trifluoroacetyl)-
2,2,2-Trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
2,2,2,2′,2′,2′-Hexafluorodiacetamide
N-(Trifluoroacetyl)trifluoroacetamide
2,2,2-Trifluoro-N-(trifluoroacetyl)acetamide

Work with Bis(trifluoroacetyl)imide

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-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate684-78-645 % similar N-Methyltrifluoroacetamide815-06-544 % similar 2,2,2-Trifluoro-N-(hydroxymethyl)acetamide50667-69-141 % similar Trifluoroacetic acid76-05-138 % similar 2,2,2-Trifluoro-N-phenylacetamide404-24-038 % similar Rhodium (II) Trifluoroacetate dimer31126-95-134 % similar Ammonium trifluoroacetate3336-58-134 % similar N6-(2,2,2-Trifluoroacetyl)-L-lysine10009-20-833 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook