4-(2,2,2-trifluoroethyl)piperazin-2-one

C6H9F3N2O — CID 67612876

IUPAC4-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1CN(CC(F)(F)F)CCN1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-11-2-1-10-5(12)3-11/h1-4H2,(H,10,12)
InChIKeyHFTRDEFTLFGKQB-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.02
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)piperazin-2-one

4-(2,2,2-trifluoroethyl)piperazin-2-one (PubChem CID 67612876) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)piperazin-2-one
PubChem CID67612876
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name4-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1CN(CC(F)(F)F)CCN1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-11-2-1-10-5(12)3-11/h1-4H2,(H,10,12)
InChIKeyHFTRDEFTLFGKQB-UHFFFAOYSA-N
XLogP-0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
CID 165466795
4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one
CID 126769443
4-(aminomethyl)piperazin-2-one
CID 170083985
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
CID 71862960
4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
4-[(1-methylcyclopropyl)methyl]piperazin-2-one
CID 130831729
4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
CID 8962883

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)piperazin-2-one?
The IUPAC name of 4-(2,2,2-trifluoroethyl)piperazin-2-one (CID 67612876) is 4-(2,2,2-trifluoroethyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)piperazin-2-one?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)piperazin-2-one is O=C1CN(CC(F)(F)F)CCN1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)piperazin-2-one?
The InChIKey is HFTRDEFTLFGKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)4-11-2-1-10-5(12)3-11/h1-4H2,(H,10,12).
What are the key properties of 4-(2,2,2-trifluoroethyl)piperazin-2-one?
4-(2,2,2-trifluoroethyl)piperazin-2-one has a molecular weight of 182.14 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)piperazin-2-one is sourced from PubChem (CID 67612876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).