2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride

C7H13ClF3NS — CID 75530525

IUPAC2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride
SMILESFC(F)(F)SCC1CCCC[NH2+]1.[Cl-]
InChIInChI=1S/C7H12F3NS.ClH/c8-7(9,10)12-5-6-3-1-2-4-11-6;/h6,11H,1-5H2;1H
InChIKeyOZSRWICRFAJAIM-UHFFFAOYSA-N
MW235.70 g/mol
LogP-1.64
Rot. Bonds2

About 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride

2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride (PubChem CID 75530525) has the molecular formula C7H13ClF3NS and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride.

Molecular Properties

Compound Name2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride
PubChem CID75530525
Molecular FormulaC7H13ClF3NS
Molecular Weight235.70 g/mol
Exact Mass235.04
IUPAC Name2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride
SMILESFC(F)(F)SCC1CCCC[NH2+]1.[Cl-]
InChIInChI=1S/C7H12F3NS.ClH/c8-7(9,10)12-5-6-3-1-2-4-11-6;/h6,11H,1-5H2;1H
InChIKeyOZSRWICRFAJAIM-UHFFFAOYSA-N
XLogP-1.64
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride?
The IUPAC name of 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride (CID 75530525) is 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride.
What is the SMILES notation for 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride?
The canonical SMILES for 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride is FC(F)(F)SCC1CCCC[NH2+]1.[Cl-].
What is the InChIKey of 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride?
The InChIKey is OZSRWICRFAJAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS.ClH/c8-7(9,10)12-5-6-3-1-2-4-11-6;/h6,11H,1-5H2;1H.
What are the key properties of 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride?
2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride has a molecular weight of 235.70 g/mol, XLogP of -1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanylmethyl)piperidin-1-ium chloride is sourced from PubChem (CID 75530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).