2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene

C7H18F6N5O3P5 — CID 89089982

IUPAC2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
SMILESCCOP1(F)=NP(C)(F)=NP(F)(F)=NP(F)(OCC)=NP(F)(OCC)=N1
InChIInChI=1S/C7H18F6N5O3P5/c1-5-19-24(11)15-22(4,8)14-23(9,10)16-25(12,20-6-2)18-26(13,17-24)21-7-3/h5-7H2,1-4H3
InChIKeyIGZLNEORILKJPT-UHFFFAOYSA-N
MW489.11 g/mol
LogP9.37
Rot. Bonds6

About 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene

2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (PubChem CID 89089982) has the molecular formula C7H18F6N5O3P5 and a molecular weight of 489.11 g/mol. Its IUPAC name is 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
PubChem CID89089982
Molecular FormulaC7H18F6N5O3P5
Molecular Weight489.11 g/mol
Exact Mass489.00
IUPAC Name2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
SMILESCCOP1(F)=NP(C)(F)=NP(F)(F)=NP(F)(OCC)=NP(F)(OCC)=N1
InChIInChI=1S/C7H18F6N5O3P5/c1-5-19-24(11)15-22(4,8)14-23(9,10)16-25(12,20-6-2)18-26(13,17-24)21-7-3/h5-7H2,1-4H3
InChIKeyIGZLNEORILKJPT-UHFFFAOYSA-N
XLogP9.37
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.11
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene 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-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (CID 89089982) is 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is CCOP1(F)=NP(C)(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-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The InChIKey is IGZLNEORILKJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18F6N5O3P5/c1-5-19-24(11)15-22(4,8)14-23(9,10)16-25(12,20-6-2)18-26(13,17-24)21-7-3/h5-7H2,1-4H3.
What are the key properties of 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene has a molecular weight of 489.11 g/mol, XLogP of 9.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethoxy-2,4,6,8,8,10-hexafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 89089982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).