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

C5H8FN — CID 91289839

IUPAC2-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1CC=CCN1
InChIInChI=1S/C5H8FN/c6-5-3-1-2-4-7-5/h1-2,5,7H,3-4H2
InChIKeyYPUNDFMCBCGQGX-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.83
Rot. Bonds

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

2-fluoro-1,2,3,6-tetrahydropyridine (PubChem CID 91289839) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 2-fluoro-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-fluoro-1,2,3,6-tetrahydropyridine
PubChem CID91289839
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name2-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1CC=CCN1
InChIInChI=1S/C5H8FN/c6-5-3-1-2-4-7-5/h1-2,5,7H,3-4H2
InChIKeyYPUNDFMCBCGQGX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-fluoro-1,2,3,6-tetrahydropyridine (CID 91289839) is 2-fluoro-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-fluoro-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-fluoro-1,2,3,6-tetrahydropyridine is FC1CC=CCN1.
What is the InChIKey of 2-fluoro-1,2,3,6-tetrahydropyridine?
The InChIKey is YPUNDFMCBCGQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c6-5-3-1-2-4-7-5/h1-2,5,7H,3-4H2.
What are the key properties of 2-fluoro-1,2,3,6-tetrahydropyridine?
2-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 2-fluoro-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 91289839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).