hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid

C21H16F29NO12P2 — CID 140628875

About hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid

hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid (PubChem CID 140628875) has the molecular formula C21H16F29NO12P2 and a molecular weight of 1087.24 g/mol. Its IUPAC name is hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid.

Molecular Properties

• Compound Name: hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid
• PubChem CID: 140628875
• Molecular Formula: C21H16F29NO12P2
• Molecular Weight: 1087.24 g/mol
• Exact Mass: 1086.97
• IUPAC Name: hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid
• SMILES: O=C(NCCCCCC(O)(OOOP)P(O)OO)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C21H16F29NO12P2/c22-8(13(28,29)30,6(52)51-5-3-1-2-4-7(53,60-62-63-64)65(55)61-54)56-19(45,46)10(25,15(34,35)36)58-21(49,50)12(27,17(40,41)42)59-20(47,48)11(26,16(37,38)39)57-18(43,44)9(23,24)14(31,32)33/h53-55H,1-5,64H2,(H,51,52)
• InChIKey: HTIXPTNJVPDWSG-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 163.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.24
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid?

The IUPAC name of hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid (CID 140628875) is hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid.

What is the SMILES notation for hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid?

The canonical SMILES for hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid is O=C(NCCCCCC(O)(OOOP)P(O)OO)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid?

The InChIKey is HTIXPTNJVPDWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F29NO12P2/c22-8(13(28,29)30,6(52)51-5-3-1-2-4-7(53,60-62-63-64)65(55)61-54)56-19(45,46)10(25,15(34,35)36)58-21(49,50)12(27,17(40,41)42)59-20(47,48)11(26,16(37,38)39)57-18(43,44)9(23,24)14(31,32)33/h53-55H,1-5,64H2,(H,51,52).

What are the key properties of hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid?

hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid has a molecular weight of 1087.24 g/mol, XLogP of 9.32, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for hydroperoxy-[1-hydroxy-1-phosphanyloxyperoxy-6-[[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl]amino]hexyl]phosphinous acid is sourced from PubChem (CID 140628875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).