2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine

C8H12F5NS — CID 75530365

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine
SMILESFC(F)(F)C(F)(F)SCC1CCCCN1
InChIInChI=1S/C8H12F5NS/c9-7(10,11)8(12,13)15-5-6-3-1-2-4-14-6/h6,14H,1-5H2
InChIKeyUHLADUYZZJOEJJ-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.02
Rot. Bonds3

About 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine

2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine (PubChem CID 75530365) has the molecular formula C8H12F5NS and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine
PubChem CID75530365
Molecular FormulaC8H12F5NS
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine
SMILESFC(F)(F)C(F)(F)SCC1CCCCN1
InChIInChI=1S/C8H12F5NS/c9-7(10,11)8(12,13)15-5-6-3-1-2-4-14-6/h6,14H,1-5H2
InChIKeyUHLADUYZZJOEJJ-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine (CID 75530365) is 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine is FC(F)(F)C(F)(F)SCC1CCCCN1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine?
The InChIKey is UHLADUYZZJOEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NS/c9-7(10,11)8(12,13)15-5-6-3-1-2-4-14-6/h6,14H,1-5H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine?
2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine has a molecular weight of 249.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)piperidine is sourced from PubChem (CID 75530365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).