2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

C6H6F18N6O3P6 — CID 59283624

IUPAC2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
SMILESFC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C6H6F18N6O3P6/c7-4(8,9)1-31-37(22)27-35(18,19)25-34(16,17)26-36(20,21)28-38(23,32-2-5(10,11)12)30-39(24,29-37)33-3-6(13,14)15/h1-3H2
InChIKeyFOPJZHLLIFRMMS-UHFFFAOYSA-N
MW737.96 g/mol
LogP13.14
Rot. Bonds6

About 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene

2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 59283624) has the molecular formula C6H6F18N6O3P6 and a molecular weight of 737.96 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
PubChem CID59283624
Molecular FormulaC6H6F18N6O3P6
Molecular Weight737.96 g/mol
Exact Mass737.86
IUPAC Name2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
SMILESFC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C6H6F18N6O3P6/c7-4(8,9)1-31-37(22)27-35(18,19)25-34(16,17)26-36(20,21)28-38(23,32-2-5(10,11)12)30-39(24,29-37)33-3-6(13,14)15/h1-3H2
InChIKeyFOPJZHLLIFRMMS-UHFFFAOYSA-N
XLogP13.14
TPSA101.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.96
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-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 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-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 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene (CID 59283624) is 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-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 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-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 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene is FC(F)(F)COP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1.
What is the InChIKey of 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
The InChIKey is FOPJZHLLIFRMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F18N6O3P6/c7-4(8,9)1-31-37(22)27-35(18,19)25-34(16,17)26-36(20,21)28-38(23,32-2-5(10,11)12)30-39(24,29-37)33-3-6(13,14)15/h1-3H2.
What are the key properties of 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene?
2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-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 737.96 g/mol, XLogP of 13.14, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,10,12-nonafluoro-8,10,12-tris(2,2,2-trifluoroethoxy)-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 59283624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).