4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine

C15H20FN — CID 89431580

IUPAC4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
SMILESC=C/C=C\C(F)=C/CC(CC)C1=CC=NCC1
InChIInChI=1S/C15H20FN/c1-3-5-6-15(16)8-7-13(4-2)14-9-11-17-12-10-14/h3,5-6,8-9,11,13H,1,4,7,10,12H2,2H3/b6-5-,15-8+
InChIKeyDQDRIPSIWCUIKZ-UGHRRFQNSA-N
MW233.33 g/mol
LogP4.40
Rot. Bonds6

About 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine

4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine (PubChem CID 89431580) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
PubChem CID89431580
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
SMILESC=C/C=C\C(F)=C/CC(CC)C1=CC=NCC1
InChIInChI=1S/C15H20FN/c1-3-5-6-15(16)8-7-13(4-2)14-9-11-17-12-10-14/h3,5-6,8-9,11,13H,1,4,7,10,12H2,2H3/b6-5-,15-8+
InChIKeyDQDRIPSIWCUIKZ-UGHRRFQNSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
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-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine?
The IUPAC name of 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine (CID 89431580) is 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine.
What is the SMILES notation for 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine?
The canonical SMILES for 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine is C=C/C=C\C(F)=C/CC(CC)C1=CC=NCC1.
What is the InChIKey of 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine?
The InChIKey is DQDRIPSIWCUIKZ-UGHRRFQNSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-5-6-15(16)8-7-13(4-2)14-9-11-17-12-10-14/h3,5-6,8-9,11,13H,1,4,7,10,12H2,2H3/b6-5-,15-8+.
What are the key properties of 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine?
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine has a molecular weight of 233.33 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine is sourced from PubChem (CID 89431580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).