2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene

C7H9F15N5O3P5 — CID 89089994

About 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene

2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (PubChem CID 89089994) has the molecular formula C7H9F15N5O3P5 and a molecular weight of 651.02 g/mol. Its IUPAC name is 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

• Compound Name: 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
• PubChem CID: 89089994
• Molecular Formula: C7H9F15N5O3P5
• Molecular Weight: 651.02 g/mol
• Exact Mass: 650.92
• IUPAC Name: 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
• SMILES: CP1(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
• InChI: InChI=1S/C7H9F15N5O3P5/c1-31(17)23-32(18,19)25-34(21,29-3-6(11,12)13)27-35(22,30-4-7(14,15)16)26-33(20,24-31)28-2-5(8,9)10/h2-4H2,1H3
• InChIKey: ZRMJDYCRAFLIOC-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 89.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.02
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?

The IUPAC name of 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (CID 89089994) is 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.

What is the SMILES notation for 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?

The canonical SMILES for 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is CP1(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1.

What is the InChIKey of 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?

The InChIKey is ZRMJDYCRAFLIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F15N5O3P5/c1-31(17)23-32(18,19)25-34(21,29-3-6(11,12)13)27-35(22,30-4-7(14,15)16)26-33(20,24-31)28-2-5(8,9)10/h2-4H2,1H3.

What are the key properties of 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?

2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene has a molecular weight of 651.02 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4,6,8,10-hexafluoro-4-methyl-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 89089994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).