N,N-Diethyl-2,2,2-trifluoroacetamide

C₆H₁₀F₃NOCAS 360-92-9169.15 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₆H₁₀F₃NO
Molar mass: 169.15 g/mol
Exact mass: 169.0714 Da
logP: 1.42Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed95.7% of notifiers
H312 Harmful in contact with skin95.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled95.7% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

360-92-9

SMILES

CCN(CC)C(=O)C(F)(F)F

InChIKey

CODXZFSZJFCVBE-UHFFFAOYSA-N

InChI

InChI=1S/C6H10F3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3

Weigh it out

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

Work with N,N-Diethyl-2,2,2-trifluoroacetamide

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

1-Trifluoroacetyl piperidine340-07-856 % similar 2,2,2-Trifluoro-N,N-dimethylacetamide1547-87-150 % similar N-Methylbis(trifluoroacetyl)imide685-27-850 % similar 1,1-Bis(diethylamino)tetrafluoro-1-propene216393-97-448 % similar N,N,N′,N′-Tetraethylurea1187-03-744 % similar N,N-Diethyl-2,3,3,3-tetrafluoropropionamide392-63-242 % similar 2,2,2-Trifluoro-N-methoxy-N-methylacetamide104863-67-442 % similar N-Methyl-N-(trimethylsilyl)trifluoroacetamide24589-78-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)-4-piperidinol373603-69-1

Elsewhere

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