2,2,2-Trifluoro-N-methoxy-N-methylacetamide

C₄H₆F₃NO₂CAS 104863-67-4157.09 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₄H₆F₃NO₂
Molar mass: 157.09 g/mol
Exact mass: 157.0351 Da
Boiling point: 52 °C (at 30 Torr)
logP: 0.57Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P303+P361+P353, P305+P351+P338, P321, P330, P337+P317, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

104863-67-4

SMILES

CON(C)C(=O)C(F)(F)F

InChIKey

JDBJZZTZYKUFFK-UHFFFAOYSA-N

InChI

InChI=1S/C4H6F3NO2/c1-8(10-2)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

3 names

Acetamide, 2,2,2-trifluoro-N-methoxy-N-methyl-
N-Methoxy-N-methyltrifluoroacetamide
N-Methyl-N-methoxytrifluoroacetamide

Work with 2,2,2-Trifluoro-N-methoxy-N-methylacetamide

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,N-dimethylacetamide1547-87-152 % similar N-Methylbis(trifluoroacetyl)imide685-27-852 % similar N,N'-Dimethoxy-N,N'-dimethyloxamide106675-70-148 % similar N-Methoxy-N-methylacetamide78191-00-145 % similar N-Methyl-N-(trimethylsilyl)trifluoroacetamide24589-78-444 % similar N,N-Diethyl-2,2,2-trifluoroacetamide360-92-942 % similar 2-Chloro-N-methoxy-N-methylacetamide67442-07-341 % similar N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide77377-52-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4,4,4-trifluorobutanoic acid15959-93-0 Methyl 3,3,3-trifluoroalaninate27240-44-4 3-Amino-4,4,4-trifluorobutyric acid584-20-3

Elsewhere

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