1-(1,1-difluoroethylsulfonyl)piperazine

C6H12F2N2O2S — CID 142020487

IUPAC1-(1,1-difluoroethylsulfonyl)piperazine
SMILESCC(F)(F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H12F2N2O2S/c1-6(7,8)13(11,12)10-4-2-9-3-5-10/h9H,2-5H2,1H3
InChIKeyXYJIAVNIKRXDDY-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.17
Rot. Bonds2

About 1-(1,1-difluoroethylsulfonyl)piperazine

1-(1,1-difluoroethylsulfonyl)piperazine (PubChem CID 142020487) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(1,1-difluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(1,1-difluoroethylsulfonyl)piperazine
PubChem CID142020487
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name1-(1,1-difluoroethylsulfonyl)piperazine
SMILESCC(F)(F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C6H12F2N2O2S/c1-6(7,8)13(11,12)10-4-2-9-3-5-10/h9H,2-5H2,1H3
InChIKeyXYJIAVNIKRXDDY-UHFFFAOYSA-N
XLogP-0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethylsulfonyl)piperazine?
The IUPAC name of 1-(1,1-difluoroethylsulfonyl)piperazine (CID 142020487) is 1-(1,1-difluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-(1,1-difluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-(1,1-difluoroethylsulfonyl)piperazine is CC(F)(F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(1,1-difluoroethylsulfonyl)piperazine?
The InChIKey is XYJIAVNIKRXDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-6(7,8)13(11,12)10-4-2-9-3-5-10/h9H,2-5H2,1H3.
What are the key properties of 1-(1,1-difluoroethylsulfonyl)piperazine?
1-(1,1-difluoroethylsulfonyl)piperazine has a molecular weight of 214.24 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethylsulfonyl)piperazine is sourced from PubChem (CID 142020487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).