2,2,2-Trifluoro-N,N-dimethylacetamide

C₄H₆F₃NOCAS 1547-87-1141.09 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₄H₆F₃NO
Molar mass: 141.09 g/mol
Exact mass: 141.0401 Da
logP: 0.64Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor66.7% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

1547-87-1

SMILES

CN(C)C(=O)C(F)(F)F

InChIKey

WXBWKMLIVXELSF-UHFFFAOYSA-N

InChI

InChI=1S/C4H6F3NO/c1-8(2)3(9)4(5,6)7/h1-2H3

Weigh it out

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

Names and synonyms

1 names

N,N-Dimethyltrifluoroacetamide

Work with 2,2,2-Trifluoro-N,N-dimethylacetamide

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

N-Methylbis(trifluoroacetyl)imide685-27-864 % similar 2,2,2-Trifluoro-N-methoxy-N-methylacetamide104863-67-452 % similar N-Methyl-N-(trimethylsilyl)trifluoroacetamide24589-78-452 % similar N,N-Diethyl-2,2,2-trifluoroacetamide360-92-950 % similar N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide77377-52-745 % similar 1-Trifluoroacetyl piperidine340-07-844 % similar Trifluoroacetone421-50-138 % similar Tetramethylurea632-22-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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