4-(trifluoromethylsulfanyl)piperidine;hydrochloride

C6H11ClF3NS — CID 91927161

IUPAC4-(trifluoromethylsulfanyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)SC1CCNCC1
InChIInChI=1S/C6H10F3NS.ClH/c7-6(8,9)11-5-1-3-10-4-2-5;/h5,10H,1-4H2;1H
InChIKeySLKAZFDDDFRFPJ-UHFFFAOYSA-N
MW221.67 g/mol
LogP2.41
Rot. Bonds1

About 4-(trifluoromethylsulfanyl)piperidine;hydrochloride

4-(trifluoromethylsulfanyl)piperidine;hydrochloride (PubChem CID 91927161) has the molecular formula C6H11ClF3NS and a molecular weight of 221.67 g/mol. Its IUPAC name is 4-(trifluoromethylsulfanyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethylsulfanyl)piperidine;hydrochloride
PubChem CID91927161
Molecular FormulaC6H11ClF3NS
Molecular Weight221.67 g/mol
Exact Mass221.03
IUPAC Name4-(trifluoromethylsulfanyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)SC1CCNCC1
InChIInChI=1S/C6H10F3NS.ClH/c7-6(8,9)11-5-1-3-10-4-2-5;/h5,10H,1-4H2;1H
InChIKeySLKAZFDDDFRFPJ-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfanyl)piperidine;hydrochloride?
The IUPAC name of 4-(trifluoromethylsulfanyl)piperidine;hydrochloride (CID 91927161) is 4-(trifluoromethylsulfanyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethylsulfanyl)piperidine;hydrochloride?
The canonical SMILES for 4-(trifluoromethylsulfanyl)piperidine;hydrochloride is Cl.FC(F)(F)SC1CCNCC1.
What is the InChIKey of 4-(trifluoromethylsulfanyl)piperidine;hydrochloride?
The InChIKey is SLKAZFDDDFRFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS.ClH/c7-6(8,9)11-5-1-3-10-4-2-5;/h5,10H,1-4H2;1H.
What are the key properties of 4-(trifluoromethylsulfanyl)piperidine;hydrochloride?
4-(trifluoromethylsulfanyl)piperidine;hydrochloride has a molecular weight of 221.67 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfanyl)piperidine;hydrochloride is sourced from PubChem (CID 91927161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).