2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol

C19H24F16O6 — CID 175826701

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol (PubChem CID 175826701) has the molecular formula C19H24F16O6 and a molecular weight of 652.36 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol
• PubChem CID: 175826701
• Molecular Formula: C19H24F16O6
• Molecular Weight: 652.36 g/mol
• Exact Mass: 652.13
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol
• SMILES: COCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
• InChI: InChI=1S/C19H24F16O6/c1-37-2-3-38-4-5-39-6-7-40-8-9-41-11-13(22,23)15(26,27)17(30,31)19(34,35)18(32,33)16(28,29)14(24,25)12(20,21)10-36/h36H,2-11H2,1H3
• InChIKey: PGAUUQVPMIZFLE-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.36
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol?

The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol (CID 175826701) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol is COCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol?

The InChIKey is PGAUUQVPMIZFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F16O6/c1-37-2-3-38-4-5-39-6-7-40-8-9-41-11-13(22,23)15(26,27)17(30,31)19(34,35)18(32,33)16(28,29)14(24,25)12(20,21)10-36/h36H,2-11H2,1H3.

What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol?

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol has a molecular weight of 652.36 g/mol, XLogP of 4.77, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol is sourced from PubChem (CID 175826701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).