6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine

C11H12FN — CID 90930168

IUPAC6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
SMILESC=C(F)/C=C\C(=C)C1=CCCC=N1
InChIInChI=1S/C11H12FN/c1-9(6-7-10(2)12)11-5-3-4-8-13-11/h5-8H,1-4H2/b7-6-
InChIKeyHGSQRRISCWRHCX-SREVYHEPSA-N
MW177.22 g/mol
LogP3.33
Rot. Bonds3

About 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine

6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine (PubChem CID 90930168) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
PubChem CID90930168
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
SMILESC=C(F)/C=C\C(=C)C1=CCCC=N1
InChIInChI=1S/C11H12FN/c1-9(6-7-10(2)12)11-5-3-4-8-13-11/h5-8H,1-4H2/b7-6-
InChIKeyHGSQRRISCWRHCX-SREVYHEPSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.33
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 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine?
The IUPAC name of 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine (CID 90930168) is 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine.
What is the SMILES notation for 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine?
The canonical SMILES for 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine is C=C(F)/C=C\C(=C)C1=CCCC=N1.
What is the InChIKey of 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine?
The InChIKey is HGSQRRISCWRHCX-SREVYHEPSA-N. The full InChI is InChI=1S/C11H12FN/c1-9(6-7-10(2)12)11-5-3-4-8-13-11/h5-8H,1-4H2/b7-6-.
What are the key properties of 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine?
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine has a molecular weight of 177.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine is sourced from PubChem (CID 90930168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).