4-(trifluoromethylsulfonyl)piperazin-2-one

C5H7F3N2O3S — CID 62850388

IUPAC4-(trifluoromethylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)C(F)(F)F)CCN1
InChIInChI=1S/C5H7F3N2O3S/c6-5(7,8)14(12,13)10-2-1-9-4(11)3-10/h1-3H2,(H,9,11)
InChIKeyUWNHPZGWGCSQSA-UHFFFAOYSA-N
MW232.18 g/mol
LogP-0.73
Rot. Bonds1

About 4-(trifluoromethylsulfonyl)piperazin-2-one

4-(trifluoromethylsulfonyl)piperazin-2-one (PubChem CID 62850388) has the molecular formula C5H7F3N2O3S and a molecular weight of 232.18 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)piperazin-2-one
PubChem CID62850388
Molecular FormulaC5H7F3N2O3S
Molecular Weight232.18 g/mol
Exact Mass232.01
IUPAC Name4-(trifluoromethylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)C(F)(F)F)CCN1
InChIInChI=1S/C5H7F3N2O3S/c6-5(7,8)14(12,13)10-2-1-9-4(11)3-10/h1-3H2,(H,9,11)
InChIKeyUWNHPZGWGCSQSA-UHFFFAOYSA-N
XLogP-0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(trifluoromethylsulfonyl)piperazin-2-one (CID 62850388) is 4-(trifluoromethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(trifluoromethylsulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)C(F)(F)F)CCN1.
What is the InChIKey of 4-(trifluoromethylsulfonyl)piperazin-2-one?
The InChIKey is UWNHPZGWGCSQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O3S/c6-5(7,8)14(12,13)10-2-1-9-4(11)3-10/h1-3H2,(H,9,11).
What are the key properties of 4-(trifluoromethylsulfonyl)piperazin-2-one?
4-(trifluoromethylsulfonyl)piperazin-2-one has a molecular weight of 232.18 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 62850388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).