2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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

C8H8F20N6O4P6 — CID 59283669

IUPAC2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C8H8F20N6O4P6/c9-5(10,11)1-35-41(25)30-39(21,22)29-40(23,24)31-42(26,36-2-6(12,13)14)33-44(28,38-4-8(18,19)20)34-43(27,32-41)37-3-7(15,16)17/h1-4H2
InChIKeyINPLQAQHHDXAGP-UHFFFAOYSA-N
MW817.99 g/mol
LogP13.75
Rot. Bonds8

About 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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

2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 59283669) has the molecular formula C8H8F20N6O4P6 and a molecular weight of 817.99 g/mol. Its IUPAC name is 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 Name2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 CID59283669
Molecular FormulaC8H8F20N6O4P6
Molecular Weight817.99 g/mol
Exact Mass817.87
IUPAC Name2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C8H8F20N6O4P6/c9-5(10,11)1-35-41(25)30-39(21,22)29-40(23,24)31-42(26,36-2-6(12,13)14)33-44(28,38-4-8(18,19)20)34-43(27,32-41)37-3-7(15,16)17/h1-4H2
InChIKeyINPLQAQHHDXAGP-UHFFFAOYSA-N
XLogP13.75
TPSA111.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 59283669) is 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1.
What is the InChIKey of 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 INPLQAQHHDXAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F20N6O4P6/c9-5(10,11)1-35-41(25)30-39(21,22)29-40(23,24)31-42(26,36-2-6(12,13)14)33-44(28,38-4-8(18,19)20)34-43(27,32-41)37-3-7(15,16)17/h1-4H2.
What are the key properties of 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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?
2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 817.99 g/mol, XLogP of 13.75, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,8,10,12-octafluoro-6,8,10,12-tetrakis(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 59283669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).