2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride

C6H10ClF3N2O — CID 22722784

IUPAC2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-3-1-10-2-4-11;/h10H,1-4H2;1H
InChIKeyJLIKRYCMRPFILF-UHFFFAOYSA-N
MW218.61 g/mol
LogP0.40
Rot. Bonds

About 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride

2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 22722784) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride
PubChem CID22722784
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC Name2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-3-1-10-2-4-11;/h10H,1-4H2;1H
InChIKeyJLIKRYCMRPFILF-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride (CID 22722784) is 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride is Cl.O=C(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is JLIKRYCMRPFILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-3-1-10-2-4-11;/h10H,1-4H2;1H.
What are the key properties of 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride?
2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 218.61 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 22722784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).