4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine

C20H28FN — CID 155485480

IUPAC4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine
SMILESC=C(C)CC1(CC(=C)C2=CC(F)=CCC2(C)C)CC=NCC1
InChIInChI=1S/C20H28FN/c1-15(2)13-20(8-10-22-11-9-20)14-16(3)18-12-17(21)6-7-19(18,4)5/h6,10,12H,1,3,7-9,11,13-14H2,2,4-5H3
InChIKeyZQHPFOMLXXQYOE-UHFFFAOYSA-N
MW301.45 g/mol
LogP5.96
Rot. Bonds5

About 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine

4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine (PubChem CID 155485480) has the molecular formula C20H28FN and a molecular weight of 301.45 g/mol. Its IUPAC name is 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine
PubChem CID155485480
Molecular FormulaC20H28FN
Molecular Weight301.45 g/mol
Exact Mass301.22
IUPAC Name4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine
SMILESC=C(C)CC1(CC(=C)C2=CC(F)=CCC2(C)C)CC=NCC1
InChIInChI=1S/C20H28FN/c1-15(2)13-20(8-10-22-11-9-20)14-16(3)18-12-17(21)6-7-19(18,4)5/h6,10,12H,1,3,7-9,11,13-14H2,2,4-5H3
InChIKeyZQHPFOMLXXQYOE-UHFFFAOYSA-N
XLogP5.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.45
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine?
The IUPAC name of 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine (CID 155485480) is 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine.
What is the SMILES notation for 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine?
The canonical SMILES for 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine is C=C(C)CC1(CC(=C)C2=CC(F)=CCC2(C)C)CC=NCC1.
What is the InChIKey of 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine?
The InChIKey is ZQHPFOMLXXQYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN/c1-15(2)13-20(8-10-22-11-9-20)14-16(3)18-12-17(21)6-7-19(18,4)5/h6,10,12H,1,3,7-9,11,13-14H2,2,4-5H3.
What are the key properties of 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine?
4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine has a molecular weight of 301.45 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)prop-2-enyl]-4-(2-methylprop-2-enyl)-3,5-dihydro-2H-pyridine is sourced from PubChem (CID 155485480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).