2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine

C12H12F3N — CID 162598589

IUPAC2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CC(C2=CCCC=C2)N1
InChIInChI=1S/C12H12F3N/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h2,4-8,10,16H,1,3H2
InChIKeyZBEDGDAKYDLUKS-UHFFFAOYSA-N
MW227.23 g/mol
LogP3.24
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine

2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 162598589) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID162598589
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CC(C2=CCCC=C2)N1
InChIInChI=1S/C12H12F3N/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h2,4-8,10,16H,1,3H2
InChIKeyZBEDGDAKYDLUKS-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine
CID 138708325
2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine
CID 145421920
2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
CID 22140571
6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
CID 88997048
4-cyclohexa-1,5-dien-1-ylcyclohexan-1-ol
CID 142618294
2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 151916060
4-cyclohexa-1,5-dien-1-yl-3-methylcyclohexan-1-one
CID 168781260
3-cyclohexa-1,5-dien-1-ylcyclobutan-1-one;1-(1-methoxyethyl)-3,5-bis(trifluoromethyl)benzene
CID 142807985
2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
CID 150188224
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653
4-(2-cyclohexa-1,5-dien-1-ylcyclohexyl)piperidine
CID 174764120
2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
CID 162563507

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine (CID 162598589) is 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC=CC(C2=CCCC=C2)N1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is ZBEDGDAKYDLUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N/c13-12(14,15)11-8-4-7-10(16-11)9-5-2-1-3-6-9/h2,4-8,10,16H,1,3H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine?
2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 227.23 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 162598589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).