1-[4-(trifluoromethoxy)phenyl]piperazin-2-one;hydrochloride


Chemical Name: 1-[4-(trifluoromethoxy)phenyl]piperazin-2-one;hydrochloride
CAS Number: 267659-71-2
Product Number: AG00BCLM(AGN-PC-09RQXI)
Synonyms:
MDL No:
Molecular Formula: C11H12ClF3N2O2
Molecular Weight: 296.6734

Identification/Properties


Computed Properties
Molecular Weight:
296.674g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
296.054g/mol
Monoisotopic Mass:
296.054g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
301
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(4-(Trifluoromethoxy)phenyl)piperazin-2-one hydrochloride is a versatile compound often utilized in chemical synthesis as a key building block. Its unique structure contains a trifluoromethoxy group attached to a phenyl ring, providing a valuable fluorine substituent that can enhance the physicochemical properties and biological activity of the resulting products. In organic synthesis, this compound is commonly employed in the construction of complex molecules, such as pharmaceuticals, agrochemicals, and materials, due to its ability to introduce fluorine-containing motifs with precision. The presence of the piperazinone moiety further expands its utility by enabling the formation of diverse chemical bonds and facilitating the synthesis of structurally diverse compounds. Utilized as a strategic intermediate, 1-(4-(Trifluoromethoxy)phenyl)piperazin-2-one hydrochloride plays a crucial role in the development of novel compounds with enhanced properties and potential applications across various industries.