2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde

CHF11N6OP6 — CID 129015275

About 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde

2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde (PubChem CID 129015275) has the molecular formula CHF11N6OP6 and a molecular weight of 507.88 g/mol. Its IUPAC name is 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde.

Molecular Properties

• Compound Name: 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde
• PubChem CID: 129015275
• Molecular Formula: CHF11N6OP6
• Molecular Weight: 507.88 g/mol
• Exact Mass: 507.85
• IUPAC Name: 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde
• SMILES: O=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1
• InChI: InChI=1S/CHF11N6OP6/c2-20(1-19)13-21(3,4)15-23(7,8)17-25(11,12)18-24(9,10)16-22(5,6)14-20/h1H
• InChIKey: LHUQBTZJRZKFEL-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 91.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.88
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde?

The IUPAC name of 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde (CID 129015275) is 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde.

What is the SMILES notation for 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde?

The canonical SMILES for 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde is O=CP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1.

What is the InChIKey of 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde?

The InChIKey is LHUQBTZJRZKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF11N6OP6/c2-20(1-19)13-21(3,4)15-23(7,8)17-25(11,12)18-24(9,10)16-22(5,6)14-20/h1H.

What are the key properties of 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde?

2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde has a molecular weight of 507.88 g/mol, XLogP of 10.62, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene-2-carbaldehyde is sourced from PubChem (CID 129015275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).