2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate

C80H80F12O20S4 — CID 158101427

About 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate

2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate (PubChem CID 158101427) has the molecular formula C80H80F12O20S4 and a molecular weight of 1717.74 g/mol. Its IUPAC name is 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate
• PubChem CID: 158101427
• Molecular Formula: C80H80F12O20S4
• Molecular Weight: 1717.74 g/mol
• Exact Mass: 1716.39
• IUPAC Name: 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate
• SMILES: COC(=O)COCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCC(=O)OC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.Cc1sc(-c2ccc(OCCOCCOCC(=O)O)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C41H42F6O10S2.C39H38F6O10S2/c1-25-31(21-33(58-25)27-5-9-29(10-6-27)56-19-17-52-13-15-54-23-35(48)50-3)37-38(40(44,45)41(46,47)39(37,42)43)32-22-34(59-26(32)2)28-7-11-30(12-8-28)57-20-18-53-14-16-55-24-36(49)51-4;1-23-29(19-31(56-23)25-3-7-27(8-4-25)54-17-15-50-11-13-52-21-33(46)47)35-36(38(42,43)39(44,45)37(35,40)41)30-20-32(57-24(30)2)26-5-9-28(10-6-26)55-18-16-51-12-14-53-22-34(48)49/h5-12,21-22H,13-20,23-24H2,1-4H3;3-10,19-20H,11-18,21-22H2,1-2H3,(H,46,47)(H,48,49)
• InChIKey: FPHOGDXWRBZNPD-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 237.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 44
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.74
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

The IUPAC name of 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate (CID 158101427) is 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate is COC(=O)COCCOCCOc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OCCOCCOCC(=O)OC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.Cc1sc(-c2ccc(OCCOCCOCC(=O)O)cc2)cc1C1=C(c2cc(-c3ccc(OCCOCCOCC(=O)O)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

The InChIKey is FPHOGDXWRBZNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42F6O10S2.C39H38F6O10S2/c1-25-31(21-33(58-25)27-5-9-29(10-6-27)56-19-17-52-13-15-54-23-35(48)50-3)37-38(40(44,45)41(46,47)39(37,42)43)32-22-34(59-26(32)2)28-7-11-30(12-8-28)57-20-18-53-14-16-55-24-36(49)51-4;1-23-29(19-31(56-23)25-3-7-27(8-4-25)54-17-15-50-11-13-52-21-33(46)47)35-36(38(42,43)39(44,45)37(35,40)41)30-20-32(57-24(30)2)26-5-9-28(10-6-26)55-18-16-51-12-14-53-22-34(48)49/h5-12,21-22H,13-20,23-24H2,1-4H3;3-10,19-20H,11-18,21-22H2,1-2H3,(H,46,47)(H,48,49).

What are the key properties of 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate?

2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate has a molecular weight of 1717.74 g/mol, XLogP of 17.34, 44 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[4-[4-[2-[5-[4-[2-[2-(carboxymethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetic acid;methyl 2-[2-[2-[4-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[4-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 158101427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).