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

C5H8ClF3N2O — CID 70299298

IUPAC4-(trifluoromethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(F)(F)F)CCN1
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)10-2-1-9-4(11)3-10;/h1-3H2,(H,9,11);1H
InChIKeyHFKVCLOAIAONNC-UHFFFAOYSA-N
MW204.58 g/mol
LogP0.36
Rot. Bonds

About 4-(trifluoromethyl)piperazin-2-one;hydrochloride

4-(trifluoromethyl)piperazin-2-one;hydrochloride (PubChem CID 70299298) has the molecular formula C5H8ClF3N2O and a molecular weight of 204.58 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)piperazin-2-one;hydrochloride
PubChem CID70299298
Molecular FormulaC5H8ClF3N2O
Molecular Weight204.58 g/mol
Exact Mass204.03
IUPAC Name4-(trifluoromethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CN(C(F)(F)F)CCN1
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)10-2-1-9-4(11)3-10;/h1-3H2,(H,9,11);1H
InChIKeyHFKVCLOAIAONNC-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)piperazin-2-one;hydrochloride (CID 70299298) is 4-(trifluoromethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)piperazin-2-one;hydrochloride is Cl.O=C1CN(C(F)(F)F)CCN1.
What is the InChIKey of 4-(trifluoromethyl)piperazin-2-one;hydrochloride?
The InChIKey is HFKVCLOAIAONNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O.ClH/c6-5(7,8)10-2-1-9-4(11)3-10;/h1-3H2,(H,9,11);1H.
What are the key properties of 4-(trifluoromethyl)piperazin-2-one;hydrochloride?
4-(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 4-(trifluoromethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 70299298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).