1-(trifluoromethylsulfonyl)piperazine

C5H9F3N2O2S — CID 18690833

IUPAC1-(trifluoromethylsulfonyl)piperazine
SMILESO=S(=O)(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-3-1-9-2-4-10/h9H,1-4H2
InChIKeyIBYRUEFAAFGNSD-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.26
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)piperazine

1-(trifluoromethylsulfonyl)piperazine (PubChem CID 18690833) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)piperazine
PubChem CID18690833
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC Name1-(trifluoromethylsulfonyl)piperazine
SMILESO=S(=O)(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-3-1-9-2-4-10/h9H,1-4H2
InChIKeyIBYRUEFAAFGNSD-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)piperazine?
The IUPAC name of 1-(trifluoromethylsulfonyl)piperazine (CID 18690833) is 1-(trifluoromethylsulfonyl)piperazine.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)piperazine?
The canonical SMILES for 1-(trifluoromethylsulfonyl)piperazine is O=S(=O)(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)piperazine?
The InChIKey is IBYRUEFAAFGNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-3-1-9-2-4-10/h9H,1-4H2.
What are the key properties of 1-(trifluoromethylsulfonyl)piperazine?
1-(trifluoromethylsulfonyl)piperazine has a molecular weight of 218.20 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)piperazine is sourced from PubChem (CID 18690833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).