1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine

C11H19F3N2S — CID 115101300

IUPAC1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCCCS1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)10-7-15-4-5-16(10)8-9-3-1-2-6-17-9/h9-10,15H,1-8H2
InChIKeySTTXMBZLQBVROG-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.11
Rot. Bonds2

About 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine

1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine (PubChem CID 115101300) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine
PubChem CID115101300
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCCCS1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)10-7-15-4-5-16(10)8-9-3-1-2-6-17-9/h9-10,15H,1-8H2
InChIKeySTTXMBZLQBVROG-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine (CID 115101300) is 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1CC1CCCCS1.
What is the InChIKey of 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine?
The InChIKey is STTXMBZLQBVROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c12-11(13,14)10-7-15-4-5-16(10)8-9-3-1-2-6-17-9/h9-10,15H,1-8H2.
What are the key properties of 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine?
1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine has a molecular weight of 268.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-2-ylmethyl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).