1-(difluoromethylsulfonyl)piperazine

C5H10F2N2O2S — CID 28606469

IUPAC1-(difluoromethylsulfonyl)piperazine
SMILESO=S(=O)(C(F)F)N1CCNCC1
InChIInChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-3-1-8-2-4-9/h5,8H,1-4H2
InChIKeyZHWKFHYSNUEPAC-UHFFFAOYSA-N
MW200.21 g/mol
LogP-0.56
Rot. Bonds2

About 1-(difluoromethylsulfonyl)piperazine

1-(difluoromethylsulfonyl)piperazine (PubChem CID 28606469) has the molecular formula C5H10F2N2O2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)piperazine
PubChem CID28606469
Molecular FormulaC5H10F2N2O2S
Molecular Weight200.21 g/mol
Exact Mass200.04
IUPAC Name1-(difluoromethylsulfonyl)piperazine
SMILESO=S(=O)(C(F)F)N1CCNCC1
InChIInChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-3-1-8-2-4-9/h5,8H,1-4H2
InChIKeyZHWKFHYSNUEPAC-UHFFFAOYSA-N
XLogP-0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)piperazine?
The IUPAC name of 1-(difluoromethylsulfonyl)piperazine (CID 28606469) is 1-(difluoromethylsulfonyl)piperazine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)piperazine?
The canonical SMILES for 1-(difluoromethylsulfonyl)piperazine is O=S(=O)(C(F)F)N1CCNCC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)piperazine?
The InChIKey is ZHWKFHYSNUEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S/c6-5(7)12(10,11)9-3-1-8-2-4-9/h5,8H,1-4H2.
What are the key properties of 1-(difluoromethylsulfonyl)piperazine?
1-(difluoromethylsulfonyl)piperazine has a molecular weight of 200.21 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)piperazine is sourced from PubChem (CID 28606469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).