[1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol

C10H6F16O6 — CID 18000075

About [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol

[1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol (PubChem CID 18000075) has the molecular formula C10H6F16O6 and a molecular weight of 526.12 g/mol. Its IUPAC name is [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol.

Molecular Properties

• Compound Name: [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol
• PubChem CID: 18000075
• Molecular Formula: C10H6F16O6
• Molecular Weight: 526.12 g/mol
• Exact Mass: 525.99
• IUPAC Name: [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol
• SMILES: OCOC(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(OCO)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C10H6F16O6/c11-3(12,7(21,22)31-9(25,29-1-27)5(15,16)17)4(13,14)8(23,24)32-10(26,30-2-28)6(18,19)20/h27-28H,1-2H2
• InChIKey: OHIZBTLTCZRQQI-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.12
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol?

The IUPAC name of [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol (CID 18000075) is [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol.

What is the SMILES notation for [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol?

The canonical SMILES for [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol is OCOC(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(OCO)C(F)(F)F)C(F)(F)F.

What is the InChIKey of [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol?

The InChIKey is OHIZBTLTCZRQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O6/c11-3(12,7(21,22)31-9(25,29-1-27)5(15,16)17)4(13,14)8(23,24)32-10(26,30-2-28)6(18,19)20/h27-28H,1-2H2.

What are the key properties of [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol?

[1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol has a molecular weight of 526.12 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol is sourced from PubChem (CID 18000075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).