2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C7H11F3N2O3S — CID 57357273

IUPAC2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-4-2-11(3-5-12)6(13)7(8,9)10/h2-5H2,1H3
InChIKeyDWZMBJYYFKMZII-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.35
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 57357273) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID57357273
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-4-2-11(3-5-12)6(13)7(8,9)10/h2-5H2,1H3
InChIKeyDWZMBJYYFKMZII-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 57357273) is 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is DWZMBJYYFKMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c1-16(14,15)12-4-2-11(3-5-12)6(13)7(8,9)10/h2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 260.24 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57357273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).