1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid

C16HF31O7S — CID 101028064

About 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid

1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid (PubChem CID 101028064) has the molecular formula C16HF31O7S and a molecular weight of 926.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid
• PubChem CID: 101028064
• Molecular Formula: C16HF31O7S
• Molecular Weight: 926.18 g/mol
• Exact Mass: 925.89
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid
• SMILES: O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
• InChI: InChI=1S/C16HF31O7S/c17-1(18)2(19)51-13(40,41)6(26,9(29,30)31)53-15(44,45)8(28,11(35,36)37)54-14(42,43)7(27,10(32,33)34)52-12(38,39)4(22,23)3(20,21)5(24,25)16(46,47)55(48,49)50/h(H,48,49,50)
• InChIKey: ZTBGOZJGFINOET-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.18
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid?

The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid (CID 101028064) is 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid.

What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid?

The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F.

What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid?

The InChIKey is ZTBGOZJGFINOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16HF31O7S/c17-1(18)2(19)51-13(40,41)6(26,9(29,30)31)53-15(44,45)8(28,11(35,36)37)54-14(42,43)7(27,10(32,33)34)52-12(38,39)4(22,23)3(20,21)5(24,25)16(46,47)55(48,49)50/h(H,48,49,50).

What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid?

1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid has a molecular weight of 926.18 g/mol, XLogP of 9.53, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid is sourced from PubChem (CID 101028064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).