2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate

C16H6F24O4 — CID 175336561

About 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate

2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate (PubChem CID 175336561) has the molecular formula C16H6F24O4 and a molecular weight of 718.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate
• PubChem CID: 175336561
• Molecular Formula: C16H6F24O4
• Molecular Weight: 718.17 g/mol
• Exact Mass: 717.99
• IUPAC Name: 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate
• SMILES: O=C(OOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
• InChI: InChI=1S/C16H6F24O4/c17-3(1-7(19,20)21)9(25,26)13(33,34)15(37,38)11(29,30)5(41)43-44-6(42)12(31,32)16(39,40)14(35,36)10(27,28)4(18)2-8(22,23)24/h3-4H,1-2H2
• InChIKey: OKHGKFRTIIBVNS-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.17
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate?

The IUPAC name of 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate (CID 175336561) is 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate is O=C(OOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate?

The InChIKey is OKHGKFRTIIBVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6F24O4/c17-3(1-7(19,20)21)9(25,26)13(33,34)15(37,38)11(29,30)5(41)43-44-6(42)12(31,32)16(39,40)14(35,36)10(27,28)4(18)2-8(22,23)24/h3-4H,1-2H2.

What are the key properties of 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate?

2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate has a molecular weight of 718.17 g/mol, XLogP of 7.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate is sourced from PubChem (CID 175336561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).