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

C6H15F7N5O3P5 — CID 59283623

IUPAC2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
SMILESCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC)=NP(F)(OCC)=N1
InChIInChI=1S/C6H15F7N5O3P5/c1-4-19-24(11)15-22(7,8)14-23(9,10)16-25(12,20-5-2)18-26(13,17-24)21-6-3/h4-6H2,1-3H3
InChIKeyLNRBRYMEPRPWOB-UHFFFAOYSA-N
MW493.07 g/mol
LogP9.63
Rot. Bonds6

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

2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (PubChem CID 59283623) has the molecular formula C6H15F7N5O3P5 and a molecular weight of 493.07 g/mol. Its IUPAC name is 2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-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-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
PubChem CID59283623
Molecular FormulaC6H15F7N5O3P5
Molecular Weight493.07 g/mol
Exact Mass492.98
IUPAC Name2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
SMILESCCOP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC)=NP(F)(OCC)=N1
InChIInChI=1S/C6H15F7N5O3P5/c1-4-19-24(11)15-22(7,8)14-23(9,10)16-25(12,20-5-2)18-26(13,17-24)21-6-3/h4-6H2,1-3H3
InChIKeyLNRBRYMEPRPWOB-UHFFFAOYSA-N
XLogP9.63
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.07
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-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-2,4,6,8,8,10,10-heptafluoro-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-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (CID 59283623) is 2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-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-2,4,6,8,8,10,10-heptafluoro-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-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is CCOP1(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-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The InChIKey is LNRBRYMEPRPWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F7N5O3P5/c1-4-19-24(11)15-22(7,8)14-23(9,10)16-25(12,20-5-2)18-26(13,17-24)21-6-3/h4-6H2,1-3H3.
What are the key properties of 2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
2,4,6-triethoxy-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene has a molecular weight of 493.07 g/mol, XLogP of 9.63, 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-2,4,6,8,8,10,10-heptafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 59283623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).