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

C7H10FN — CID 134424317

IUPAC6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine
SMILESC=CC1NCCC=C1F
InChIInChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h2,4,7,9H,1,3,5H2
InChIKeyRUJFELKKUNBZEQ-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.39
Rot. Bonds1

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

6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine (PubChem CID 134424317) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine
PubChem CID134424317
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine
SMILESC=CC1NCCC=C1F
InChIInChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h2,4,7,9H,1,3,5H2
InChIKeyRUJFELKKUNBZEQ-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine (CID 134424317) is 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine is C=CC1NCCC=C1F.
What is the InChIKey of 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine?
The InChIKey is RUJFELKKUNBZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h2,4,7,9H,1,3,5H2.
What are the key properties of 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine?
6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 134424317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).