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

Analyze 4-(2,2,2-trifluoroethyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).