1-(2,2,2-trifluoroethylsulfonyl)piperazine

C6H11F3N2O2S — CID 67332696

IUPAC1-(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESO=S(=O)(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5-14(12,13)11-3-1-10-2-4-11/h10H,1-5H2
InChIKeyWURKJKXSTLKMAI-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.22
Rot. Bonds2

About 1-(2,2,2-trifluoroethylsulfonyl)piperazine

1-(2,2,2-trifluoroethylsulfonyl)piperazine (PubChem CID 67332696) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfonyl)piperazine
PubChem CID67332696
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1-(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESO=S(=O)(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5-14(12,13)11-3-1-10-2-4-11/h10H,1-5H2
InChIKeyWURKJKXSTLKMAI-UHFFFAOYSA-N
XLogP-0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethanesulfonyl)piperazine
CID 415294
1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
1-(Ethanesulfonyl)piperazine hydrochloride
CID 46743465
2-(Piperazin-1-yl)ethane-1-sulfonamide
CID 54595802
Piperazinium trifluoromethanesulfonate
CID 129746813
1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
2-(Trifluoromethylsulfonyl)piperazine
CID 17917036
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonyl)piperazine
CID 19384750
1-Difluoromethanesulfonylpiperazine
CID 28606469
1-(3-Fluoropropylsulfonyl)piperazine
CID 53637782
1-(2-Fluoroethylsulfonyl)piperazine
CID 54461174

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfonyl)piperazine?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfonyl)piperazine (CID 67332696) is 1-(2,2,2-trifluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfonyl)piperazine is O=S(=O)(CC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfonyl)piperazine?
The InChIKey is WURKJKXSTLKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)5-14(12,13)11-3-1-10-2-4-11/h10H,1-5H2.
What are the key properties of 1-(2,2,2-trifluoroethylsulfonyl)piperazine?
1-(2,2,2-trifluoroethylsulfonyl)piperazine has a molecular weight of 232.23 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfonyl)piperazine is sourced from PubChem (CID 67332696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).