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

C4H10F8N5O2P5 — CID 59283701

IUPAC2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-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)(F)=NP(F)(OCC)=N1
InChIInChI=1S/C4H10F8N5O2P5/c1-3-18-23(11)15-21(7,8)13-20(5,6)14-22(9,10)16-24(12,17-23)19-4-2/h3-4H2,1-2H3
InChIKeyTZEOJTFVNPFLRN-UHFFFAOYSA-N
MW467.01 g/mol
LogP9.56
Rot. Bonds4

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

2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (PubChem CID 59283701) has the molecular formula C4H10F8N5O2P5 and a molecular weight of 467.01 g/mol. Its IUPAC name is 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
PubChem CID59283701
Molecular FormulaC4H10F8N5O2P5
Molecular Weight467.01 g/mol
Exact Mass466.94
IUPAC Name2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-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)(F)=NP(F)(OCC)=N1
InChIInChI=1S/C4H10F8N5O2P5/c1-3-18-23(11)15-21(7,8)13-20(5,6)14-22(9,10)16-24(12,17-23)19-4-2/h3-4H2,1-2H3
InChIKeyTZEOJTFVNPFLRN-UHFFFAOYSA-N
XLogP9.56
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.01
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-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-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (CID 59283701) is 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-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-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-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)(F)=NP(F)(OCC)=N1.
What is the InChIKey of 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The InChIKey is TZEOJTFVNPFLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F8N5O2P5/c1-3-18-23(11)15-21(7,8)13-20(5,6)14-22(9,10)16-24(12,17-23)19-4-2/h3-4H2,1-2H3.
What are the key properties of 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene has a molecular weight of 467.01 g/mol, XLogP of 9.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-2,4,6,6,8,8,10,10-octafluoro-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 59283701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).