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

C5H8ClF3N2O — CID 146082989

IUPAC5-(trifluoromethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNC(C(F)(F)F)CN1
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)3-1-10-4(11)2-9-3;/h3,9H,1-2H2,(H,10,11);1H
InChIKeyXUIANPDGXJTHIF-UHFFFAOYSA-N
MW204.58 g/mol
LogP0.06
Rot. Bonds

About 5-(trifluoromethyl)piperazin-2-one;hydrochloride

5-(trifluoromethyl)piperazin-2-one;hydrochloride (PubChem CID 146082989) has the molecular formula C5H8ClF3N2O and a molecular weight of 204.58 g/mol. Its IUPAC name is 5-(trifluoromethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)piperazin-2-one;hydrochloride
PubChem CID146082989
Molecular FormulaC5H8ClF3N2O
Molecular Weight204.58 g/mol
Exact Mass204.03
IUPAC Name5-(trifluoromethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNC(C(F)(F)F)CN1
InChIInChI=1S/C5H7F3N2O.ClH/c6-5(7,8)3-1-10-4(11)2-9-3;/h3,9H,1-2H2,(H,10,11);1H
InChIKeyXUIANPDGXJTHIF-UHFFFAOYSA-N
XLogP0.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)piperazin-2-one;hydrochloride (CID 146082989) is 5-(trifluoromethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)piperazin-2-one;hydrochloride is Cl.O=C1CNC(C(F)(F)F)CN1.
What is the InChIKey of 5-(trifluoromethyl)piperazin-2-one;hydrochloride?
The InChIKey is XUIANPDGXJTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O.ClH/c6-5(7,8)3-1-10-4(11)2-9-3;/h3,9H,1-2H2,(H,10,11);1H.
What are the key properties of 5-(trifluoromethyl)piperazin-2-one;hydrochloride?
5-(trifluoromethyl)piperazin-2-one;hydrochloride has a molecular weight of 204.58 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 146082989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).