2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol

C21H34F6O10 — CID 176591351

About 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol (PubChem CID 176591351) has the molecular formula C21H34F6O10 and a molecular weight of 560.48 g/mol. Its IUPAC name is 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 176591351
• Molecular Formula: C21H34F6O10
• Molecular Weight: 560.48 g/mol
• Exact Mass: 560.21
• IUPAC Name: 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOCCOC1=C(OCCOCCOCCOCCO)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C21H34F6O10/c22-19(23)17(36-15-13-34-11-9-32-7-5-30-3-1-28)18(20(24,25)21(19,26)27)37-16-14-35-12-10-33-8-6-31-4-2-29/h28-29H,1-16H2
• InChIKey: KVZNPISJXUFENI-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.48
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol (CID 176591351) is 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOC1=C(OCCOCCOCCOCCO)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is KVZNPISJXUFENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F6O10/c22-19(23)17(36-15-13-34-11-9-32-7-5-30-3-1-28)18(20(24,25)21(19,26)27)37-16-14-35-12-10-33-8-6-31-4-2-29/h28-29H,1-16H2.

What are the key properties of 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 560.48 g/mol, XLogP of 1.23, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176591351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).