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

C3H8F8N5OP5 — CID 59283613

IUPAC2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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)(F)=NP(F)(F)=N1
InChIInChI=1S/C3H8F8N5OP5/c1-3-17-22(11)13-18(2,4)12-19(5,6)14-20(7,8)15-21(9,10)16-22/h3H2,1-2H3
InChIKeyCNGDQFJJKJERBB-UHFFFAOYSA-N
MW436.99 g/mol
LogP9.24
Rot. Bonds2

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

2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (PubChem CID 59283613) has the molecular formula C3H8F8N5OP5 and a molecular weight of 436.99 g/mol. Its IUPAC name is 2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene
PubChem CID59283613
Molecular FormulaC3H8F8N5OP5
Molecular Weight436.99 g/mol
Exact Mass436.93
IUPAC Name2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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)(F)=NP(F)(F)=N1
InChIInChI=1S/C3H8F8N5OP5/c1-3-17-22(11)13-18(2,4)12-19(5,6)14-20(7,8)15-21(9,10)16-22/h3H2,1-2H3
InChIKeyCNGDQFJJKJERBB-UHFFFAOYSA-N
XLogP9.24
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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-ethoxy-2,4,4,6,6,8,8,10-octafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene (CID 59283613) is 2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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)(F)=NP(F)(F)=N1.
What is the InChIKey of 2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
The InChIKey is CNGDQFJJKJERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F8N5OP5/c1-3-17-22(11)13-18(2,4)12-19(5,6)14-20(7,8)15-21(9,10)16-22/h3H2,1-2H3.
What are the key properties of 2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-10-methyl-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-1,3,5,7,9-pentaene?
2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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 436.99 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4,4,6,6,8,8,10-octafluoro-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 59283613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).