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

C9H12FN — CID 156793152

IUPAC5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C(=C)F)CCNC1
InChIInChI=1S/C9H12FN/c1-3-8-6-11-5-4-9(8)7(2)10/h3,11H,1-2,4-6H2
InChIKeyKVELMHAAKHYNOQ-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.95
Rot. Bonds2

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

5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 156793152) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
PubChem CID156793152
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C(=C)F)CCNC1
InChIInChI=1S/C9H12FN/c1-3-8-6-11-5-4-9(8)7(2)10/h3,11H,1-2,4-6H2
InChIKeyKVELMHAAKHYNOQ-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine (CID 156793152) is 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine is C=CC1=C(C(=C)F)CCNC1.
What is the InChIKey of 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KVELMHAAKHYNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-8-6-11-5-4-9(8)7(2)10/h3,11H,1-2,4-6H2.
What are the key properties of 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine?
5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 153.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 156793152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).