1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid

C8HF15O6S — CID 22568732

About 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid (PubChem CID 22568732) has the molecular formula C8HF15O6S and a molecular weight of 510.13 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid.

Molecular Properties

• Compound Name: 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid
• PubChem CID: 22568732
• Molecular Formula: C8HF15O6S
• Molecular Weight: 510.13 g/mol
• Exact Mass: 509.93
• IUPAC Name: 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid
• SMILES: O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)=C(F)F
• InChI: InChI=1S/C8HF15O6S/c9-1(10)2(11)27-3(12,13)4(14,15)28-5(16,17)6(18,19)29-7(20,21)8(22,23)30(24,25)26/h(H,24,25,26)
• InChIKey: FFORLIMIEVBWPX-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.13
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid?

The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid (CID 22568732) is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid.

What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid?

The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)=C(F)F.

What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid?

The InChIKey is FFORLIMIEVBWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF15O6S/c9-1(10)2(11)27-3(12,13)4(14,15)28-5(16,17)6(18,19)29-7(20,21)8(22,23)30(24,25)26/h(H,24,25,26).

What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid?

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid has a molecular weight of 510.13 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid is sourced from PubChem (CID 22568732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).