2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

C14H34F6N6O4P6 — CID 89090006

About 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 89090006) has the molecular formula C14H34F6N6O4P6 and a molecular weight of 650.30 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

Molecular Properties

• Compound Name: 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
• PubChem CID: 89090006
• Molecular Formula: C14H34F6N6O4P6
• Molecular Weight: 650.30 g/mol
• Exact Mass: 650.10
• IUPAC Name: 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
• SMILES: CCCOP1(F)=NP(C)(F)=NP(C)(F)=NP(F)(OCCC)=NP(F)(OCCC)=NP(F)(OCCC)=N1
• InChI: InChI=1S/C14H34F6N6O4P6/c1-7-11-27-33(17)22-31(5,15)21-32(6,16)23-34(18,28-12-8-2)25-36(20,30-14-10-4)26-35(19,24-33)29-13-9-3/h7-14H2,1-6H3
• InChIKey: ZJDNIYJKVYANCP-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 111.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.30
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 89090006) is 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

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

The canonical SMILES for 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is CCCOP1(F)=NP(C)(F)=NP(C)(F)=NP(F)(OCCC)=NP(F)(OCCC)=NP(F)(OCCC)=N1.

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

The InChIKey is ZJDNIYJKVYANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34F6N6O4P6/c1-7-11-27-33(17)22-31(5,15)21-32(6,16)23-34(18,28-12-8-2)25-36(20,30-14-10-4)26-35(19,24-33)29-13-9-3/h7-14H2,1-6H3.

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

2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene has a molecular weight of 650.30 g/mol, XLogP of 12.63, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,8,10,12-hexafluoro-2,4-dimethyl-6,8,10,12-tetrapropoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 89090006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).