2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone

C12H8F24N6O6P6 — CID 89080937

IUPAC2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone
SMILESO=C(C(F)(F)F)P1(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(C(=O)C(F)(F)F)=N1
InChIInChI=1S/C12H8F24N6O6P6/c13-7(14,15)1-45-51(33)38-49(31,5(43)11(25,26)27)37-50(32,6(44)12(28,29)30)39-52(34,46-2-8(16,17)18)41-54(36,48-4-10(22,23)24)42-53(35,40-51)47-3-9(19,20)21/h1-4H2
InChIKeyYPCGUMWVVKOALG-UHFFFAOYSA-N
MW974.03 g/mol
LogP14.16
Rot. Bonds10

About 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone

2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone (PubChem CID 89080937) has the molecular formula C12H8F24N6O6P6 and a molecular weight of 974.03 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone
PubChem CID89080937
Molecular FormulaC12H8F24N6O6P6
Molecular Weight974.03 g/mol
Exact Mass973.85
IUPAC Name2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone
SMILESO=C(C(F)(F)F)P1(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(C(=O)C(F)(F)F)=N1
InChIInChI=1S/C12H8F24N6O6P6/c13-7(14,15)1-45-51(33)38-49(31,5(43)11(25,26)27)37-50(32,6(44)12(28,29)30)39-52(34,46-2-8(16,17)18)41-54(36,48-4-10(22,23)24)42-53(35,40-51)47-3-9(19,20)21/h1-4H2
InChIKeyYPCGUMWVVKOALG-UHFFFAOYSA-N
XLogP14.16
TPSA145.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.03
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone (CID 89080937) is 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone is O=C(C(F)(F)F)P1(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(C(=O)C(F)(F)F)=N1.
What is the InChIKey of 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone?
The InChIKey is YPCGUMWVVKOALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F24N6O6P6/c13-7(14,15)1-45-51(33)38-49(31,5(43)11(25,26)27)37-50(32,6(44)12(28,29)30)39-52(34,46-2-8(16,17)18)41-54(36,48-4-10(22,23)24)42-53(35,40-51)47-3-9(19,20)21/h1-4H2.
What are the key properties of 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone?
2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone has a molecular weight of 974.03 g/mol, XLogP of 14.16, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2,4,6,8,10,12-hexafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10,12-tetrakis(2,2,2-trifluoroethoxy)-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-2,4,6,8,10,12-hexaen-2-yl]ethanone is sourced from PubChem (CID 89080937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).