1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone

C7H11F3N2O3S — CID 126758715

IUPAC1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O3S/c1-6(13)11-2-4-12(5-3-11)16(14,15)7(8,9)10/h2-5H2,1H3
InChIKeyVDDWFUSCPOUIND-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.00
Rot. Bonds1

About 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone

1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone (PubChem CID 126758715) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone
PubChem CID126758715
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O3S/c1-6(13)11-2-4-12(5-3-11)16(14,15)7(8,9)10/h2-5H2,1H3
InChIKeyVDDWFUSCPOUIND-UHFFFAOYSA-N
XLogP0.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone (CID 126758715) is 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone?
The InChIKey is VDDWFUSCPOUIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c1-6(13)11-2-4-12(5-3-11)16(14,15)7(8,9)10/h2-5H2,1H3.
What are the key properties of 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone?
1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone has a molecular weight of 260.24 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126758715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).