2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane

C16H2F30O5 — CID 160862772

About 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane

2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane (PubChem CID 160862772) has the molecular formula C16H2F30O5 and a molecular weight of 844.13 g/mol. Its IUPAC name is 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane.

Molecular Properties

• Compound Name: 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
• PubChem CID: 160862772
• Molecular Formula: C16H2F30O5
• Molecular Weight: 844.13 g/mol
• Exact Mass: 843.94
• IUPAC Name: 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
• SMILES: C=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=C(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C8F16O3.C8H2F14O2/c9-1(25)2(10,11)26-8(23,24)4(14,6(18,19)20)27-7(21,22)3(12,13)5(15,16)17;1-2(9)23-8(21,22)4(12,6(16,17)18)24-7(19,20)3(10,11)5(13,14)15/h;1H2
• InChIKey: SKRZBUMSCVTGHY-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.13
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

The IUPAC name of 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane (CID 160862772) is 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane.

What is the SMILES notation for 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

The canonical SMILES for 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane is C=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=C(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

The InChIKey is SKRZBUMSCVTGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16O3.C8H2F14O2/c9-1(25)2(10,11)26-8(23,24)4(14,6(18,19)20)27-7(21,22)3(12,13)5(15,16)17;1-2(9)23-8(21,22)4(12,6(16,17)18)24-7(19,20)3(10,11)5(13,14)15/h;1H2.

What are the key properties of 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane has a molecular weight of 844.13 g/mol, XLogP of 9.79, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane is sourced from PubChem (CID 160862772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).