formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate

C10HF16IO3 — CID 166769785

About formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate

formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate (PubChem CID 166769785) has the molecular formula C10HF16IO3 and a molecular weight of 599.99 g/mol. Its IUPAC name is formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate.

Molecular Properties

• Compound Name: formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate
• PubChem CID: 166769785
• Molecular Formula: C10HF16IO3
• Molecular Weight: 599.99 g/mol
• Exact Mass: 599.87
• IUPAC Name: formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate
• SMILES: O=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
• InChI: InChI=1S/C10HF16IO3/c11-3(12,2(29)30-1-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H
• InChIKey: IKKCPXQYTKEYIA-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.99
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate?

The IUPAC name of formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate (CID 166769785) is formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate.

What is the SMILES notation for formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate?

The canonical SMILES for formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate is O=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I.

What is the InChIKey of formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate?

The InChIKey is IKKCPXQYTKEYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF16IO3/c11-3(12,2(29)30-1-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H.

What are the key properties of formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate?

formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate has a molecular weight of 599.99 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate is sourced from PubChem (CID 166769785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).