3-(2-fluoropropylsulfanyl)piperidine

C8H16FNS — CID 84656242

IUPAC3-(2-fluoropropylsulfanyl)piperidine
SMILESCC(F)CSC1CCCNC1
InChIInChI=1S/C8H16FNS/c1-7(9)6-11-8-3-2-4-10-5-8/h7-8,10H,2-6H2,1H3
InChIKeyVHLWZXABHKLWKU-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.83
Rot. Bonds3

About 3-(2-fluoropropylsulfanyl)piperidine

3-(2-fluoropropylsulfanyl)piperidine (PubChem CID 84656242) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(2-fluoropropylsulfanyl)piperidine.

Molecular Properties

Compound Name3-(2-fluoropropylsulfanyl)piperidine
PubChem CID84656242
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-(2-fluoropropylsulfanyl)piperidine
SMILESCC(F)CSC1CCCNC1
InChIInChI=1S/C8H16FNS/c1-7(9)6-11-8-3-2-4-10-5-8/h7-8,10H,2-6H2,1H3
InChIKeyVHLWZXABHKLWKU-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropylsulfanyl)piperidine?
The IUPAC name of 3-(2-fluoropropylsulfanyl)piperidine (CID 84656242) is 3-(2-fluoropropylsulfanyl)piperidine.
What is the SMILES notation for 3-(2-fluoropropylsulfanyl)piperidine?
The canonical SMILES for 3-(2-fluoropropylsulfanyl)piperidine is CC(F)CSC1CCCNC1.
What is the InChIKey of 3-(2-fluoropropylsulfanyl)piperidine?
The InChIKey is VHLWZXABHKLWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-7(9)6-11-8-3-2-4-10-5-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(2-fluoropropylsulfanyl)piperidine?
3-(2-fluoropropylsulfanyl)piperidine has a molecular weight of 177.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropylsulfanyl)piperidine is sourced from PubChem (CID 84656242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).