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

C6H15F9N6O3P6 — CID 59283665

IUPAC2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
SMILESCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC)=NP(F)(OCC)=N1
InChIInChI=1S/C6H15F9N6O3P6/c1-4-22-28(13)18-26(9,10)16-25(7,8)17-27(11,12)19-29(14,23-5-2)21-30(15,20-28)24-6-3/h4-6H2,1-3H3
InChIKeyLUVRBFWZIRXOKT-UHFFFAOYSA-N
MW576.05 g/mol
LogP11.51
Rot. Bonds6

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

2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 59283665) has the molecular formula C6H15F9N6O3P6 and a molecular weight of 576.05 g/mol. Its IUPAC name is 2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
PubChem CID59283665
Molecular FormulaC6H15F9N6O3P6
Molecular Weight576.05 g/mol
Exact Mass575.95
IUPAC Name2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
SMILESCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC)=NP(F)(OCC)=N1
InChIInChI=1S/C6H15F9N6O3P6/c1-4-22-28(13)18-26(9,10)16-25(7,8)17-27(11,12)19-29(14,23-5-2)21-30(15,20-28)24-6-3/h4-6H2,1-3H3
InChIKeyLUVRBFWZIRXOKT-UHFFFAOYSA-N
XLogP11.51
TPSA101.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.05
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-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-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 59283665) is 2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-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-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-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-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is CCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC)=NP(F)(OCC)=N1.
What is the InChIKey of 2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
The InChIKey is LUVRBFWZIRXOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F9N6O3P6/c1-4-22-28(13)18-26(9,10)16-25(7,8)17-27(11,12)19-29(14,23-5-2)21-30(15,20-28)24-6-3/h4-6H2,1-3H3.
What are the key properties of 2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-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 576.05 g/mol, XLogP of 11.51, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethoxy-2,4,6,8,8,10,10,12,12-nonafluoro-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 59283665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).