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

C9H12FNO — CID 112563074

IUPAC4-fluoro-4-(furan-3-yl)piperidine
SMILESFC1(c2ccoc2)CCNCC1
InChIInChI=1S/C9H12FNO/c10-9(2-4-11-5-3-9)8-1-6-12-7-8/h1,6-7,11H,2-5H2
InChIKeyFZROECAMUQQWFX-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.83
Rot. Bonds1

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

4-fluoro-4-(furan-3-yl)piperidine (PubChem CID 112563074) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-fluoro-4-(furan-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(furan-3-yl)piperidine
PubChem CID112563074
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name4-fluoro-4-(furan-3-yl)piperidine
SMILESFC1(c2ccoc2)CCNCC1
InChIInChI=1S/C9H12FNO/c10-9(2-4-11-5-3-9)8-1-6-12-7-8/h1,6-7,11H,2-5H2
InChIKeyFZROECAMUQQWFX-UHFFFAOYSA-N
XLogP1.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(furan-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-(furan-3-yl)piperidine (CID 112563074) is 4-fluoro-4-(furan-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-(furan-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-(furan-3-yl)piperidine is FC1(c2ccoc2)CCNCC1.
What is the InChIKey of 4-fluoro-4-(furan-3-yl)piperidine?
The InChIKey is FZROECAMUQQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9(2-4-11-5-3-9)8-1-6-12-7-8/h1,6-7,11H,2-5H2.
What are the key properties of 4-fluoro-4-(furan-3-yl)piperidine?
4-fluoro-4-(furan-3-yl)piperidine has a molecular weight of 169.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(furan-3-yl)piperidine is sourced from PubChem (CID 112563074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).