2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane

C46H68F2O5 — CID 139711218

About 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane

2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane (PubChem CID 139711218) has the molecular formula C46H68F2O5 and a molecular weight of 739.04 g/mol. Its IUPAC name is 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane.

Molecular Properties

• Compound Name: 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane
• PubChem CID: 139711218
• Molecular Formula: C46H68F2O5
• Molecular Weight: 739.04 g/mol
• Exact Mass: 738.50
• IUPAC Name: 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane
• SMILES: CCCC1COC(C2CCC(CCc3ccc(CCOCCc4ccc(CCC5CCC(C6OCC(CCC)CO6)CC5)cc4F)c(F)c3)CC2)OC1
• InChI: InChI=1S/C46H68F2O5/c1-3-5-37-29-50-45(51-30-37)41-19-11-33(12-20-41)7-9-35-15-17-39(43(47)27-35)23-25-49-26-24-40-18-16-36(28-44(40)48)10-8-34-13-21-42(22-14-34)46-52-31-38(6-4-2)32-53-46/h15-18,27-28,33-34,37-38,41-42,45-46H,3-14,19-26,29-32H2,1-2H3
• InChIKey: RRJUHRJSGWOYRK-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.04
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane?

The IUPAC name of 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane (CID 139711218) is 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane.

What is the SMILES notation for 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane?

The canonical SMILES for 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane is CCCC1COC(C2CCC(CCc3ccc(CCOCCc4ccc(CCC5CCC(C6OCC(CCC)CO6)CC5)cc4F)c(F)c3)CC2)OC1.

What is the InChIKey of 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane?

The InChIKey is RRJUHRJSGWOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H68F2O5/c1-3-5-37-29-50-45(51-30-37)41-19-11-33(12-20-41)7-9-35-15-17-39(43(47)27-35)23-25-49-26-24-40-18-16-36(28-44(40)48)10-8-34-13-21-42(22-14-34)46-52-31-38(6-4-2)32-53-46/h15-18,27-28,33-34,37-38,41-42,45-46H,3-14,19-26,29-32H2,1-2H3.

What are the key properties of 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane?

2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane has a molecular weight of 739.04 g/mol, XLogP of 10.82, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3-fluoro-4-[2-[2-[2-fluoro-4-[2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]phenyl]ethyl]cyclohexyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 139711218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).