3-fluoro-3-(thian-4-yl)piperidine

C10H18FNS — CID 83819655

IUPAC3-fluoro-3-(thian-4-yl)piperidine
SMILESFC1(C2CCSCC2)CCCNC1
InChIInChI=1S/C10H18FNS/c11-10(4-1-5-12-8-10)9-2-6-13-7-3-9/h9,12H,1-8H2
InChIKeyFYJOQWMBORNVDS-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.22
Rot. Bonds1

About 3-fluoro-3-(thian-4-yl)piperidine

3-fluoro-3-(thian-4-yl)piperidine (PubChem CID 83819655) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-fluoro-3-(thian-4-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(thian-4-yl)piperidine
PubChem CID83819655
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Name3-fluoro-3-(thian-4-yl)piperidine
SMILESFC1(C2CCSCC2)CCCNC1
InChIInChI=1S/C10H18FNS/c11-10(4-1-5-12-8-10)9-2-6-13-7-3-9/h9,12H,1-8H2
InChIKeyFYJOQWMBORNVDS-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(thian-4-yl)piperidine?
The IUPAC name of 3-fluoro-3-(thian-4-yl)piperidine (CID 83819655) is 3-fluoro-3-(thian-4-yl)piperidine.
What is the SMILES notation for 3-fluoro-3-(thian-4-yl)piperidine?
The canonical SMILES for 3-fluoro-3-(thian-4-yl)piperidine is FC1(C2CCSCC2)CCCNC1.
What is the InChIKey of 3-fluoro-3-(thian-4-yl)piperidine?
The InChIKey is FYJOQWMBORNVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c11-10(4-1-5-12-8-10)9-2-6-13-7-3-9/h9,12H,1-8H2.
What are the key properties of 3-fluoro-3-(thian-4-yl)piperidine?
3-fluoro-3-(thian-4-yl)piperidine has a molecular weight of 203.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(thian-4-yl)piperidine is sourced from PubChem (CID 83819655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).