3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine

C8H15F2NS — CID 146631131

IUPAC3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine
SMILESCCSC1CN(C)CCC1(F)F
InChIInChI=1S/C8H15F2NS/c1-3-12-7-6-11(2)5-4-8(7,9)10/h7H,3-6H2,1-2H3
InChIKeyLOJPIIKLCOCJOM-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.08
Rot. Bonds2

About 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine

3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine (PubChem CID 146631131) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine
PubChem CID146631131
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine
SMILESCCSC1CN(C)CCC1(F)F
InChIInChI=1S/C8H15F2NS/c1-3-12-7-6-11(2)5-4-8(7,9)10/h7H,3-6H2,1-2H3
InChIKeyLOJPIIKLCOCJOM-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine?
The IUPAC name of 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine (CID 146631131) is 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine.
What is the SMILES notation for 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine?
The canonical SMILES for 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine is CCSC1CN(C)CCC1(F)F.
What is the InChIKey of 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine?
The InChIKey is LOJPIIKLCOCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-3-12-7-6-11(2)5-4-8(7,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine?
3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine has a molecular weight of 195.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4,4-difluoro-1-methylpiperidine is sourced from PubChem (CID 146631131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).