2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C46H54F6O12S2 — CID 88869321

About 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 88869321) has the molecular formula C46H54F6O12S2 and a molecular weight of 977.05 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
• PubChem CID: 88869321
• Molecular Formula: C46H54F6O12S2
• Molecular Weight: 977.05 g/mol
• Exact Mass: 976.30
• IUPAC Name: 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
• SMILES: COCCOCCOCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCCOCCOCC(=O)O)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1
• InChI: InChI=1S/C46H54F6O12S2/c1-31-37(28-39(65-31)33-4-8-35(9-5-33)63-26-24-60-20-18-57-15-14-56-13-12-55-3)42-43(45(49,50)46(51,52)44(42,47)48)38-29-40(66-32(38)2)34-6-10-36(11-7-34)64-27-25-61-21-19-58-16-17-59-22-23-62-30-41(53)54/h4-11,28-29H,12-27,30H2,1-3H3,(H,53,54)
• InChIKey: DWNFLEBJDRVIIW-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 129.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 32
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	977.05
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 88869321) is 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is COCCOCCOCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCCOCCOCC(=O)O)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.

What is the InChIKey of 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

The InChIKey is DWNFLEBJDRVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54F6O12S2/c1-31-37(28-39(65-31)33-4-8-35(9-5-33)63-26-24-60-20-18-57-15-14-56-13-12-55-3)42-43(45(49,50)46(51,52)44(42,47)48)38-29-40(66-32(38)2)34-6-10-36(11-7-34)64-27-25-61-21-19-58-16-17-59-22-23-62-30-41(53)54/h4-11,28-29H,12-27,30H2,1-3H3,(H,53,54).

What are the key properties of 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?

2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 977.05 g/mol, XLogP of 9.20, 32 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 88869321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).