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

C4H10F10N6O2P6 — CID 59283612

IUPAC2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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)(OCC)=N1
InChIInChI=1S/C4H10F10N6O2P6/c1-3-21-27(13)18-25(9,10)16-23(5,6)15-24(7,8)17-26(11,12)19-28(14,20-27)22-4-2/h3-4H2,1-2H3
InChIKeyRUNMJPWLXPHXDS-UHFFFAOYSA-N
MW549.99 g/mol
LogP11.45
Rot. Bonds4

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

2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 59283612) has the molecular formula C4H10F10N6O2P6 and a molecular weight of 549.99 g/mol. Its IUPAC name is 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
PubChem CID59283612
Molecular FormulaC4H10F10N6O2P6
Molecular Weight549.99 g/mol
Exact Mass549.91
IUPAC Name2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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)(OCC)=N1
InChIInChI=1S/C4H10F10N6O2P6/c1-3-21-27(13)18-25(9,10)16-23(5,6)15-24(7,8)17-26(11,12)19-28(14,20-27)22-4-2/h3-4H2,1-2H3
InChIKeyRUNMJPWLXPHXDS-UHFFFAOYSA-N
XLogP11.45
TPSA92.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.99
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 59283612) is 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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)(OCC)=N1.
What is the InChIKey of 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
The InChIKey is RUNMJPWLXPHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F10N6O2P6/c1-3-21-27(13)18-25(9,10)16-23(5,6)15-24(7,8)17-26(11,12)19-28(14,20-27)22-4-2/h3-4H2,1-2H3.
What are the key properties of 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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 549.99 g/mol, XLogP of 11.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-2,4,6,6,8,8,10,10,12,12-decafluoro-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 59283612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).