4-(difluoromethylsulfonyl)piperazin-2-one

C5H8F2N2O3S — CID 62733685

IUPAC4-(difluoromethylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)C(F)F)CCN1
InChIInChI=1S/C5H8F2N2O3S/c6-5(7)13(11,12)9-2-1-8-4(10)3-9/h5H,1-3H2,(H,8,10)
InChIKeyUJSREXRNTWSSPT-UHFFFAOYSA-N
MW214.19 g/mol
LogP-1.03
Rot. Bonds2

About 4-(difluoromethylsulfonyl)piperazin-2-one

4-(difluoromethylsulfonyl)piperazin-2-one (PubChem CID 62733685) has the molecular formula C5H8F2N2O3S and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)piperazin-2-one
PubChem CID62733685
Molecular FormulaC5H8F2N2O3S
Molecular Weight214.19 g/mol
Exact Mass214.02
IUPAC Name4-(difluoromethylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)C(F)F)CCN1
InChIInChI=1S/C5H8F2N2O3S/c6-5(7)13(11,12)9-2-1-8-4(10)3-9/h5H,1-3H2,(H,8,10)
InChIKeyUJSREXRNTWSSPT-UHFFFAOYSA-N
XLogP-1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(difluoromethylsulfonyl)piperazin-2-one (CID 62733685) is 4-(difluoromethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(difluoromethylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(difluoromethylsulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)C(F)F)CCN1.
What is the InChIKey of 4-(difluoromethylsulfonyl)piperazin-2-one?
The InChIKey is UJSREXRNTWSSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O3S/c6-5(7)13(11,12)9-2-1-8-4(10)3-9/h5H,1-3H2,(H,8,10).
What are the key properties of 4-(difluoromethylsulfonyl)piperazin-2-one?
4-(difluoromethylsulfonyl)piperazin-2-one has a molecular weight of 214.19 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 62733685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).