6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine

C21H27F2N — CID 129156390

IUPAC6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
SMILESCCC=CCC1CC(F)=CC(F)=C1C1=CC=CCN1CC=CCC
InChIInChI=1S/C21H27F2N/c1-3-5-7-11-17-15-18(22)16-19(23)21(17)20-12-8-10-14-24(20)13-9-6-4-2/h5-10,12,16-17H,3-4,11,13-15H2,1-2H3
InChIKeyAIORFYPNLQMGSO-UHFFFAOYSA-N
MW331.45 g/mol
LogP6.16
Rot. Bonds7

About 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine

6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine (PubChem CID 129156390) has the molecular formula C21H27F2N and a molecular weight of 331.45 g/mol. Its IUPAC name is 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine.

Molecular Properties

Compound Name6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
PubChem CID129156390
Molecular FormulaC21H27F2N
Molecular Weight331.45 g/mol
Exact Mass331.21
IUPAC Name6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
SMILESCCC=CCC1CC(F)=CC(F)=C1C1=CC=CCN1CC=CCC
InChIInChI=1S/C21H27F2N/c1-3-5-7-11-17-15-18(22)16-19(23)21(17)20-12-8-10-14-24(20)13-9-6-4-2/h5-10,12,16-17H,3-4,11,13-15H2,1-2H3
InChIKeyAIORFYPNLQMGSO-UHFFFAOYSA-N
XLogP6.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-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

Related Compounds

(3E)-N-[(2S)-4-[(1S,5R)-3,5-difluorocyclohex-3-en-1-yl]butan-2-yl]-6-methyl-N-prop-2-enylhepta-1,3-dien-3-amine
CID 122647527
1,2,4,4-Tetramethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-3-(3,3,3-trifluoroprop-1-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123826438
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
2-(2-Fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
CID 129236268
(3Z)-N-[(5,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethyl-N-propan-2-yl-3-prop-1-en-2-ylnona-1,3-dien-2-amine
CID 130242943
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
N-(cyclohexa-1,3-dien-1-ylmethyl)-1-(2-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 134293845
(2E)-1-[(4,4-difluorocyclohexyl)methyl]-2-[(E)-4-methyl-2-methylidene-3-prop-1-en-2-ylhex-3-enylidene]-3H-pyrrole
CID 135294797
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
CID 135295121
4-ethenyl-11-ethyl-9,10-difluoro-2-[(Z)-5-fluoropent-3-enyl]-8-methyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene
CID 138563973

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine?
The IUPAC name of 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine (CID 129156390) is 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine.
What is the SMILES notation for 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine?
The canonical SMILES for 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine is CCC=CCC1CC(F)=CC(F)=C1C1=CC=CCN1CC=CCC.
What is the InChIKey of 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine?
The InChIKey is AIORFYPNLQMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N/c1-3-5-7-11-17-15-18(22)16-19(23)21(17)20-12-8-10-14-24(20)13-9-6-4-2/h5-10,12,16-17H,3-4,11,13-15H2,1-2H3.
What are the key properties of 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine?
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine has a molecular weight of 331.45 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine is sourced from PubChem (CID 129156390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).