2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane

C25H23F5O3 — CID 139875690

About 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane

2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane (PubChem CID 139875690) has the molecular formula C25H23F5O3 and a molecular weight of 466.45 g/mol. Its IUPAC name is 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane.

Molecular Properties

• Compound Name: 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane
• PubChem CID: 139875690
• Molecular Formula: C25H23F5O3
• Molecular Weight: 466.45 g/mol
• Exact Mass: 466.16
• IUPAC Name: 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane
• SMILES: CCC1COC(c2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)OC1
• InChI: InChI=1S/C25H23F5O3/c1-2-14-12-31-24(32-13-14)18-7-8-19-17(11-18)6-5-16(22(19)28)4-3-15-9-20(26)23(21(27)10-15)33-25(29)30/h5-11,14,24-25H,2-4,12-13H2,1H3
• InChIKey: WMDKYDCDBBWNOV-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.45
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane?

The IUPAC name of 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane (CID 139875690) is 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane.

What is the SMILES notation for 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane?

The canonical SMILES for 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane is CCC1COC(c2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)OC1.

What is the InChIKey of 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane?

The InChIKey is WMDKYDCDBBWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5O3/c1-2-14-12-31-24(32-13-14)18-7-8-19-17(11-18)6-5-16(22(19)28)4-3-15-9-20(26)23(21(27)10-15)33-25(29)30/h5-11,14,24-25H,2-4,12-13H2,1H3.

What are the key properties of 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane?

2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane has a molecular weight of 466.45 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane is sourced from PubChem (CID 139875690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).