2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol

C17H24F12O9S — CID 90068336

About 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 90068336) has the molecular formula C17H24F12O9S and a molecular weight of 632.41 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 90068336
• Molecular Formula: C17H24F12O9S
• Molecular Weight: 632.41 g/mol
• Exact Mass: 632.09
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)COCS
• InChI: InChI=1S/C17H24F12O9S/c18-12(19,9-34-8-7-33-6-5-32-4-3-31-2-1-30)36-14(22,23)16(26,27)38-17(28,29)15(24,25)37-13(20,21)10-35-11-39/h30,39H,1-11H2
• InChIKey: CJWKEAYOQDVXGS-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 94.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.41
LogP ≤ 5	3.56
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 90068336) is 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)COCS.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is CJWKEAYOQDVXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F12O9S/c18-12(19,9-34-8-7-33-6-5-32-4-3-31-2-1-30)36-14(22,23)16(26,27)38-17(28,29)15(24,25)37-13(20,21)10-35-11-39/h30,39H,1-11H2.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 632.41 g/mol, XLogP of 3.56, 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-[2-[2-[2-[1,1-difluoro-2-(sulfanylmethoxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 90068336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).