1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine

C9H15F3N2S — CID 115101244

IUPAC1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1C1CCSC1
InChIInChI=1S/C9H15F3N2S/c10-9(11,12)8-5-13-2-3-14(8)7-1-4-15-6-7/h7-8,13H,1-6H2
InChIKeyZLUXMOLOJFLECD-UHFFFAOYSA-N
MW240.29 g/mol
LogP1.33
Rot. Bonds1

About 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine

1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101244) has the molecular formula C9H15F3N2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101244
Molecular FormulaC9H15F3N2S
Molecular Weight240.29 g/mol
Exact Mass240.09
IUPAC Name1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1C1CCSC1
InChIInChI=1S/C9H15F3N2S/c10-9(11,12)8-5-13-2-3-14(8)7-1-4-15-6-7/h7-8,13H,1-6H2
InChIKeyZLUXMOLOJFLECD-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine (CID 115101244) is 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is ZLUXMOLOJFLECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2S/c10-9(11,12)8-5-13-2-3-14(8)7-1-4-15-6-7/h7-8,13H,1-6H2.
What are the key properties of 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine?
1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 240.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).