2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine

C36H25F10NO2 — CID 58383524

About 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine

2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine (PubChem CID 58383524) has the molecular formula C36H25F10NO2 and a molecular weight of 693.58 g/mol. Its IUPAC name is 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine.

Molecular Properties

• Compound Name: 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine
• PubChem CID: 58383524
• Molecular Formula: C36H25F10NO2
• Molecular Weight: 693.58 g/mol
• Exact Mass: 693.17
• IUPAC Name: 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine
• SMILES: CCCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(OC(F)F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)nc1
• InChI: InChI=1S/C36H25F10NO2/c1-2-3-4-5-19-6-11-32(47-18-19)20-7-9-24(26(37)12-20)21-13-28(39)33(29(40)14-21)36(45,46)49-23-8-10-25(27(38)17-23)22-15-30(41)34(31(42)16-22)48-35(43)44/h6-18,35H,2-5H2,1H3
• InChIKey: ZLWNABMWIGQTSS-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.58
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine?

The IUPAC name of 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine (CID 58383524) is 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine.

What is the SMILES notation for 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine?

The canonical SMILES for 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine is CCCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(OC(F)F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)nc1.

What is the InChIKey of 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine?

The InChIKey is ZLWNABMWIGQTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F10NO2/c1-2-3-4-5-19-6-11-32(47-18-19)20-7-9-24(26(37)12-20)21-13-28(39)33(29(40)14-21)36(45,46)49-23-8-10-25(27(38)17-23)22-15-30(41)34(31(42)16-22)48-35(43)44/h6-18,35H,2-5H2,1H3.

What are the key properties of 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine?

2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine has a molecular weight of 693.58 g/mol, XLogP of 11.38, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[4-[4-(difluoromethoxy)-3,5-difluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine is sourced from PubChem (CID 58383524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).