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

C10H17F3N2S — CID 115101286

IUPAC1-(thian-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1C1CCCCS1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)8-7-14-4-5-15(8)9-3-1-2-6-16-9/h8-9,14H,1-7H2
InChIKeyMJRTWCNRPOYYQG-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.07
Rot. Bonds1

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

1-(thian-2-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101286) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(thian-2-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(thian-2-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101286
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name1-(thian-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1C1CCCCS1
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)8-7-14-4-5-15(8)9-3-1-2-6-16-9/h8-9,14H,1-7H2
InChIKeyMJRTWCNRPOYYQG-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-2-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(thian-2-yl)-2-(trifluoromethyl)piperazine (CID 115101286) is 1-(thian-2-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(thian-2-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(thian-2-yl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1C1CCCCS1.
What is the InChIKey of 1-(thian-2-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is MJRTWCNRPOYYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c11-10(12,13)8-7-14-4-5-15(8)9-3-1-2-6-16-9/h8-9,14H,1-7H2.
What are the key properties of 1-(thian-2-yl)-2-(trifluoromethyl)piperazine?
1-(thian-2-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-2-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).