5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine

C11H16FN — CID 143839521

IUPAC5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C(=C)F)CCNC1CC
InChIInChI=1S/C11H16FN/c1-4-9-10(8(3)12)6-7-13-11(9)5-2/h4,11,13H,1,3,5-7H2,2H3
InChIKeyYNAASROSFBALFD-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.72
Rot. Bonds3

About 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine

5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 143839521) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
PubChem CID143839521
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C(=C)F)CCNC1CC
InChIInChI=1S/C11H16FN/c1-4-9-10(8(3)12)6-7-13-11(9)5-2/h4,11,13H,1,3,5-7H2,2H3
InChIKeyYNAASROSFBALFD-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine (CID 143839521) is 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine is C=CC1=C(C(=C)F)CCNC1CC.
What is the InChIKey of 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is YNAASROSFBALFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-9-10(8(3)12)6-7-13-11(9)5-2/h4,11,13H,1,3,5-7H2,2H3.
What are the key properties of 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 181.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143839521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).