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

C₄HF₆NO₃CAS 684-78-6225.05 g/mol

Open in Covalent MOL file

Alkyl halide Oxime

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

Bis(trifluoroacetyl)imide407-24-945 % similar Trifluoroacetic anhydride407-25-044 % similar Methyl trifluoroacetate431-47-040 % similar N-Methyltrifluoroacetamide815-06-540 % similar 2,2,2-Trifluoro-N-(hydroxymethyl)acetamide50667-69-138 % similar Ethyl trifluoroacetate383-63-136 % similar Isopropyl trifluoroacetate400-38-436 % similar Trimethyl(trifluoroacetato)silane400-53-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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