2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane

C28H26F4O2 — CID 77344786

About 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane

2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane (PubChem CID 77344786) has the molecular formula C28H26F4O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane.

Molecular Properties

• Compound Name: 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane
• PubChem CID: 77344786
• Molecular Formula: C28H26F4O2
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.19
• IUPAC Name: 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane
• SMILES: CC=CCCC1COC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)OC1
• InChI: InChI=1S/C28H26F4O2/c1-3-4-5-6-18-15-33-28(34-16-18)23-14-13-22(26(31)27(23)32)20-10-8-19(9-11-20)21-12-7-17(2)24(29)25(21)30/h3-4,7-14,18,28H,5-6,15-16H2,1-2H3
• InChIKey: ZEBRGLZOTVVFFN-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane?

The IUPAC name of 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane (CID 77344786) is 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane.

What is the SMILES notation for 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane?

The canonical SMILES for 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane is CC=CCCC1COC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)OC1.

What is the InChIKey of 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane?

The InChIKey is ZEBRGLZOTVVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4O2/c1-3-4-5-6-18-15-33-28(34-16-18)23-14-13-22(26(31)27(23)32)20-10-8-19(9-11-20)21-12-7-17(2)24(29)25(21)30/h3-4,7-14,18,28H,5-6,15-16H2,1-2H3.

What are the key properties of 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane?

2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane has a molecular weight of 470.51 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluorophenyl]-5-pent-3-enyl-1,3-dioxane is sourced from PubChem (CID 77344786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).