1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine

C8H15F3N2O2S — CID 71158445

IUPAC1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-2-12-3-5-13(6-4-12)16(14,15)7-8(9,10)11/h2-7H2,1H3
InChIKeyIWLCVTGGTRQPFR-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.52
Rot. Bonds3

About 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine

1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine (PubChem CID 71158445) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
PubChem CID71158445
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-2-12-3-5-13(6-4-12)16(14,15)7-8(9,10)11/h2-7H2,1H3
InChIKeyIWLCVTGGTRQPFR-UHFFFAOYSA-N
XLogP0.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine?
The IUPAC name of 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine (CID 71158445) is 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine is CCN1CCN(S(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine?
The InChIKey is IWLCVTGGTRQPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-2-12-3-5-13(6-4-12)16(14,15)7-8(9,10)11/h2-7H2,1H3.
What are the key properties of 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine?
1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine has a molecular weight of 260.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine is sourced from PubChem (CID 71158445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).