3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene

C22H16F26O4 — CID 102065187

About 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene (PubChem CID 102065187) has the molecular formula C22H16F26O4 and a molecular weight of 838.31 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene.

Molecular Properties

• Compound Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene
• PubChem CID: 102065187
• Molecular Formula: C22H16F26O4
• Molecular Weight: 838.31 g/mol
• Exact Mass: 838.06
• IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene
• SMILES: C=C(OCCOCCOCCOC(=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C22H16F26O4/c1-9(11(23,24)13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)51-7-5-49-3-4-50-6-8-52-10(2)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-8H2
• InChIKey: NAMHHBWBHPOBKR-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.31
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene?

The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene (CID 102065187) is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene.

What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene?

The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene is C=C(OCCOCCOCCOC(=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene?

The InChIKey is NAMHHBWBHPOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F26O4/c1-9(11(23,24)13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)51-7-5-49-3-4-50-6-8-52-10(2)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-8H2.

What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene?

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene has a molecular weight of 838.31 g/mol, XLogP of 9.56, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-en-2-yloxy)ethoxy]ethoxy]ethoxy]oct-1-ene is sourced from PubChem (CID 102065187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).