1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride

C6H10ClF3N2O — CID 126845298

IUPAC1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CC(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)4-11-2-1-10-3-5(11)12;/h10H,1-4H2;1H
InChIKeyWSRRTWDKDJKSSW-UHFFFAOYSA-N
MW218.61 g/mol
LogP0.40
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride

1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride (PubChem CID 126845298) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride
PubChem CID126845298
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC Name1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CC(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)4-11-2-1-10-3-5(11)12;/h10H,1-4H2;1H
InChIKeyWSRRTWDKDJKSSW-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride (CID 126845298) is 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride?
The InChIKey is WSRRTWDKDJKSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.ClH/c7-6(8,9)4-11-2-1-10-3-5(11)12;/h10H,1-4H2;1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride?
1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride has a molecular weight of 218.61 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 126845298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).