5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane

C26H22F4O2 — CID 67735344

About 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane

5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane (PubChem CID 67735344) has the molecular formula C26H22F4O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane.

Molecular Properties

• Compound Name: 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane
• PubChem CID: 67735344
• Molecular Formula: C26H22F4O2
• Molecular Weight: 442.45 g/mol
• Exact Mass: 442.16
• IUPAC Name: 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane
• SMILES: C=CC1COC(c2ccc(-c3ccc(-c4ccc(CC)c(F)c4F)cc3)c(F)c2F)OC1
• InChI: InChI=1S/C26H22F4O2/c1-3-15-13-31-26(32-14-15)21-12-11-20(24(29)25(21)30)18-7-5-17(6-8-18)19-10-9-16(4-2)22(27)23(19)28/h3,5-12,15,26H,1,4,13-14H2,2H3
• InChIKey: GQCYRRKNUOUDEY-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.45
LogP ≤ 5	6.99
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 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane?

The IUPAC name of 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane (CID 67735344) is 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane.

What is the SMILES notation for 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane?

The canonical SMILES for 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane is C=CC1COC(c2ccc(-c3ccc(-c4ccc(CC)c(F)c4F)cc3)c(F)c2F)OC1.

What is the InChIKey of 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane?

The InChIKey is GQCYRRKNUOUDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4O2/c1-3-15-13-31-26(32-14-15)21-12-11-20(24(29)25(21)30)18-7-5-17(6-8-18)19-10-9-16(4-2)22(27)23(19)28/h3,5-12,15,26H,1,4,13-14H2,2H3.

What are the key properties of 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane?

5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane has a molecular weight of 442.45 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethenyl-2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-1,3-dioxane is sourced from PubChem (CID 67735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).