5-fluoro-1,2,3,6-tetrahydropyridine

C5H8FN — CID 75480349

IUPAC5-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1=CCCNC1
InChIInChI=1S/C5H8FN/c6-5-2-1-3-7-4-5/h2,7H,1,3-4H2
InChIKeyQWDSFLRXTYVJEH-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.83
Rot. Bonds

About 5-fluoro-1,2,3,6-tetrahydropyridine

5-fluoro-1,2,3,6-tetrahydropyridine (PubChem CID 75480349) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 5-fluoro-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-fluoro-1,2,3,6-tetrahydropyridine
PubChem CID75480349
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name5-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1=CCCNC1
InChIInChI=1S/C5H8FN/c6-5-2-1-3-7-4-5/h2,7H,1,3-4H2
InChIKeyQWDSFLRXTYVJEH-UHFFFAOYSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-fluoro-1,2,3,6-tetrahydropyridine (CID 75480349) is 5-fluoro-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-fluoro-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-fluoro-1,2,3,6-tetrahydropyridine is FC1=CCCNC1.
What is the InChIKey of 5-fluoro-1,2,3,6-tetrahydropyridine?
The InChIKey is QWDSFLRXTYVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c6-5-2-1-3-7-4-5/h2,7H,1,3-4H2.
What are the key properties of 5-fluoro-1,2,3,6-tetrahydropyridine?
5-fluoro-1,2,3,6-tetrahydropyridine has a molecular weight of 101.12 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 75480349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).