2-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide


Chemical Name: 2-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
CAS Number: 1248497-60-0
Product Number: AG01AHR7(AGN-PC-0WOBXD)
Synonyms:
MDL No: MFCD16059327
Molecular Formula: C8H9F3N2O
Molecular Weight: 206.1651

Identification/Properties


Computed Properties
Molecular Weight:
206.168g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
206.067g/mol
Monoisotopic Mass:
206.067g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
274
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide, a versatile compound in chemical synthesis, plays a crucial role in the creation of complex organic molecules. With its unique structure and properties, this compound is widely utilized as a key building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its presence enables the introduction of the cyanocyclopropyl and trifluoroethyl functional groups into target molecules, leading to the generation of novel compounds with enhanced biological or physical properties. The use of 2-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide in chemical synthesis allows chemists to access a diverse range of molecular architectures and facilitates the development of innovative materials with potential applications across various industries.