1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid

C8HF15O5S — CID 22568752

About 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid

1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid (PubChem CID 22568752) has the molecular formula C8HF15O5S and a molecular weight of 494.13 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid.

Molecular Properties

• Compound Name: 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid
• PubChem CID: 22568752
• Molecular Formula: C8HF15O5S
• Molecular Weight: 494.13 g/mol
• Exact Mass: 493.93
• IUPAC Name: 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid
• SMILES: O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
• InChI: InChI=1S/C8HF15O5S/c9-1(10)2(11)27-7(20,21)4(14,5(15,16)17)28-6(18,19)3(12,13)8(22,23)29(24,25)26/h(H,24,25,26)
• InChIKey: ZPGIDKGAXIQGFT-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.13
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid?

The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid (CID 22568752) is 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid.

What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid?

The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F.

What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid?

The InChIKey is ZPGIDKGAXIQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF15O5S/c9-1(10)2(11)27-7(20,21)4(14,5(15,16)17)28-6(18,19)3(12,13)8(22,23)29(24,25)26/h(H,24,25,26).

What are the key properties of 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid?

1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid has a molecular weight of 494.13 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropane-1-sulfonic acid is sourced from PubChem (CID 22568752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).