4-(trifluoromethylsulfanyl)piperidine

C6H10F3NS — CID 75530531

IUPAC4-(trifluoromethylsulfanyl)piperidine
SMILESFC(F)(F)SC1CCNCC1
InChIInChI=1S/C6H10F3NS/c7-6(8,9)11-5-1-3-10-4-2-5/h5,10H,1-4H2
InChIKeyBMSGWGPQIRZFAY-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.99
Rot. Bonds1

About 4-(trifluoromethylsulfanyl)piperidine

4-(trifluoromethylsulfanyl)piperidine (PubChem CID 75530531) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 4-(trifluoromethylsulfanyl)piperidine.

Molecular Properties

Compound Name4-(trifluoromethylsulfanyl)piperidine
PubChem CID75530531
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name4-(trifluoromethylsulfanyl)piperidine
SMILESFC(F)(F)SC1CCNCC1
InChIInChI=1S/C6H10F3NS/c7-6(8,9)11-5-1-3-10-4-2-5/h5,10H,1-4H2
InChIKeyBMSGWGPQIRZFAY-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfanyl)piperidine?
The IUPAC name of 4-(trifluoromethylsulfanyl)piperidine (CID 75530531) is 4-(trifluoromethylsulfanyl)piperidine.
What is the SMILES notation for 4-(trifluoromethylsulfanyl)piperidine?
The canonical SMILES for 4-(trifluoromethylsulfanyl)piperidine is FC(F)(F)SC1CCNCC1.
What is the InChIKey of 4-(trifluoromethylsulfanyl)piperidine?
The InChIKey is BMSGWGPQIRZFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c7-6(8,9)11-5-1-3-10-4-2-5/h5,10H,1-4H2.
What are the key properties of 4-(trifluoromethylsulfanyl)piperidine?
4-(trifluoromethylsulfanyl)piperidine has a molecular weight of 185.21 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfanyl)piperidine is sourced from PubChem (CID 75530531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).