1-Methyl-4-(trifluoroacetyl)piperazin-2-one

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Basic information

CAS: 1342166-52-2
Standard SMILES: CN1CCN(C(=O)C(F)(F)F)CC1=O
InChIKey: AIIHANLJNIPYQR-UHFFFAOYSA-N
Molecular formula: C7H9F3N2O2
Average molar mass: 210.15 g/mol
Monoisotopic mass: 210.06161202

Names & identifiers

Preferred name: 1-Methyl-4-(trifluoroacetyl)piperazin-2-one
IUPAC: 1-methyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one

Names & synonyms

AIIHANLJNIPYQR-UHFFFAOYSA-NDTXSID301223498AKOS0140202331-methyl-4-(trifluoroacetyl)piperazin-2-one1-methyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one2-Piperazinone, 1-methyl-4-(2,2,2-trifluoroacetyl)-1342166-52-2

Database identifiers

CAS: 1342166-52-2
PubChem CID: 64693129
DTXSID: DTXSID301223498

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 264

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Compound notes

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