3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene

C59H82F6O16S2 — CID 102508064

About 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene

3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene (PubChem CID 102508064) has the molecular formula C59H82F6O16S2 and a molecular weight of 1225.41 g/mol. Its IUPAC name is 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene.

Molecular Properties

• Compound Name: 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene
• PubChem CID: 102508064
• Molecular Formula: C59H82F6O16S2
• Molecular Weight: 1225.41 g/mol
• Exact Mass: 1224.49
• IUPAC Name: 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene
• SMILES: COCCOCCOCCOCCOCCOCCOC[C@@H](C)Oc1ccc(-c2cc(C3=C(c4cc(-c5ccc(O[C@H](C)COCCOCCOCCOCCOCCOCCOC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1
• InChI: InChI=1S/C59H82F6O16S2/c1-43(41-78-37-35-76-33-31-74-29-27-72-25-23-70-21-19-68-17-15-66-5)80-49-11-7-47(8-12-49)53-39-51(45(3)82-53)55-56(58(62,63)59(64,65)57(55,60)61)52-40-54(83-46(52)4)48-9-13-50(14-10-48)81-44(2)42-79-38-36-77-34-32-75-30-28-73-26-24-71-22-20-69-18-16-67-6/h7-14,39-40,43-44H,15-38,41-42H2,1-6H3/t43-,44-/m1/s1
• InChIKey: LVYDDIXPPADSQB-NDOUMJCMSA-N
• XLogP: 10.62
• TPSA: 147.68 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 48
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.41
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene?

The IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene (CID 102508064) is 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene.

What is the SMILES notation for 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene?

The canonical SMILES for 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene is COCCOCCOCCOCCOCCOCCOC[C@@H](C)Oc1ccc(-c2cc(C3=C(c4cc(-c5ccc(O[C@H](C)COCCOCCOCCOCCOCCOCCOC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.

What is the InChIKey of 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene?

The InChIKey is LVYDDIXPPADSQB-NDOUMJCMSA-N. The full InChI is InChI=1S/C59H82F6O16S2/c1-43(41-78-37-35-76-33-31-74-29-27-72-25-23-70-21-19-68-17-15-66-5)80-49-11-7-47(8-12-49)53-39-51(45(3)82-53)55-56(58(62,63)59(64,65)57(55,60)61)52-40-54(83-46(52)4)48-9-13-50(14-10-48)81-44(2)42-79-38-36-77-34-32-75-30-28-73-26-24-71-22-20-69-18-16-67-6/h7-14,39-40,43-44H,15-38,41-42H2,1-6H3/t43-,44-/m1/s1.

What are the key properties of 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene?

3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene has a molecular weight of 1225.41 g/mol, XLogP of 10.62, 48 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-[4-[(2R)-1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yl]oxyphenyl]-2-methylthiophene is sourced from PubChem (CID 102508064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).