1-(trifluoromethyl)piperazin-2-one;hydrochloride

C5H8ClF3N2O — CID 142032310

IUPAC1-(trifluoromethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C(F)(F)F
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)10-2-1-9-3-4(10)11;/h9H,1-3H2;1H
InChIKeyWQAUNBKVZULTSN-UHFFFAOYSA-N
MW204.58 g/mol
LogP0.36
Rot. Bonds

About 1-(trifluoromethyl)piperazin-2-one;hydrochloride

1-(trifluoromethyl)piperazin-2-one;hydrochloride (PubChem CID 142032310) has the molecular formula C5H8ClF3N2O and a molecular weight of 204.58 g/mol. Its IUPAC name is 1-(trifluoromethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)piperazin-2-one;hydrochloride
PubChem CID142032310
Molecular FormulaC5H8ClF3N2O
Molecular Weight204.58 g/mol
Exact Mass204.03
IUPAC Name1-(trifluoromethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C(F)(F)F
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)10-2-1-9-3-4(10)11;/h9H,1-3H2;1H
InChIKeyWQAUNBKVZULTSN-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(trifluoromethyl)piperazin-2-one;hydrochloride 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 1-(trifluoromethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)piperazin-2-one;hydrochloride (CID 142032310) is 1-(trifluoromethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)piperazin-2-one;hydrochloride?
The InChIKey is WQAUNBKVZULTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O.ClH/c6-5(7,8)10-2-1-9-3-4(10)11;/h9H,1-3H2;1H.
What are the key properties of 1-(trifluoromethyl)piperazin-2-one;hydrochloride?
1-(trifluoromethyl)piperazin-2-one;hydrochloride has a molecular weight of 204.58 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 142032310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).