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

C2H5F11N6OP6 — CID 59283659

IUPAC2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H5F11N6OP6/c1-2-20-26(13)18-24(9,10)16-22(5,6)14-21(3,4)15-23(7,8)17-25(11,12)19-26/h2H2,1H3
InChIKeyGSEBDNDLOVIKLS-UHFFFAOYSA-N
MW523.92 g/mol
LogP11.38
Rot. Bonds2

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

2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 59283659) has the molecular formula C2H5F11N6OP6 and a molecular weight of 523.92 g/mol. Its IUPAC name is 2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
PubChem CID59283659
Molecular FormulaC2H5F11N6OP6
Molecular Weight523.92 g/mol
Exact Mass523.88
IUPAC Name2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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)(F)=NP(F)(F)=N1
InChIInChI=1S/C2H5F11N6OP6/c1-2-20-26(13)18-24(9,10)16-22(5,6)14-21(3,4)15-23(7,8)17-25(11,12)19-26/h2H2,1H3
InChIKeyGSEBDNDLOVIKLS-UHFFFAOYSA-N
XLogP11.38
TPSA83.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.92
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 59283659) is 2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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)(F)=NP(F)(F)=N1.
What is the InChIKey of 2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
The InChIKey is GSEBDNDLOVIKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F11N6OP6/c1-2-20-26(13)18-24(9,10)16-22(5,6)14-21(3,4)15-23(7,8)17-25(11,12)19-26/h2H2,1H3.
What are the key properties of 2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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 523.92 g/mol, XLogP of 11.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4,4,6,6,8,8,10,10,12,12-undecafluoro-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 59283659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).