4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine

C11H16FN — CID 142892616

IUPAC4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C(\C=C/CF)C1=CCNCC1
InChIInChI=1S/C11H16FN/c1-2-10(4-3-7-12)11-5-8-13-9-6-11/h2-5,13H,6-9H2,1H3/b4-3-,10-2+
InChIKeyLNIYEOHVXBJELC-MXSDMKSISA-N
MW181.25 g/mol
LogP2.38
Rot. Bonds3

About 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine

4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 142892616) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine
PubChem CID142892616
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C(\C=C/CF)C1=CCNCC1
InChIInChI=1S/C11H16FN/c1-2-10(4-3-7-12)11-5-8-13-9-6-11/h2-5,13H,6-9H2,1H3/b4-3-,10-2+
InChIKeyLNIYEOHVXBJELC-MXSDMKSISA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine (CID 142892616) is 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine is C/C=C(\C=C/CF)C1=CCNCC1.
What is the InChIKey of 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is LNIYEOHVXBJELC-MXSDMKSISA-N. The full InChI is InChI=1S/C11H16FN/c1-2-10(4-3-7-12)11-5-8-13-9-6-11/h2-5,13H,6-9H2,1H3/b4-3-,10-2+.
What are the key properties of 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine?
4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 181.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142892616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).