1-(trifluoromethylsulfonyl)piperazine;hydrochloride

C5H10ClF3N2O2S — CID 22665842

IUPAC1-(trifluoromethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S.ClH/c6-5(7,8)13(11,12)10-3-1-9-2-4-10;/h9H,1-4H2;1H
InChIKeyBIJYIDREOWGURF-UHFFFAOYSA-N
MW254.66 g/mol
LogP0.16
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)piperazine;hydrochloride

1-(trifluoromethylsulfonyl)piperazine;hydrochloride (PubChem CID 22665842) has the molecular formula C5H10ClF3N2O2S and a molecular weight of 254.66 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)piperazine;hydrochloride
PubChem CID22665842
Molecular FormulaC5H10ClF3N2O2S
Molecular Weight254.66 g/mol
Exact Mass254.01
IUPAC Name1-(trifluoromethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S.ClH/c6-5(7,8)13(11,12)10-3-1-9-2-4-10;/h9H,1-4H2;1H
InChIKeyBIJYIDREOWGURF-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(trifluoromethylsulfonyl)piperazine;hydrochloride (CID 22665842) is 1-(trifluoromethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(trifluoromethylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)piperazine;hydrochloride?
The InChIKey is BIJYIDREOWGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S.ClH/c6-5(7,8)13(11,12)10-3-1-9-2-4-10;/h9H,1-4H2;1H.
What are the key properties of 1-(trifluoromethylsulfonyl)piperazine;hydrochloride?
1-(trifluoromethylsulfonyl)piperazine;hydrochloride has a molecular weight of 254.66 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 22665842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).