2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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

C10H8F22N6O5P6 — CID 89080938

IUPAC2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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)(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)=N1
InChIInChI=1S/C10H8F22N6O5P6/c11-6(12,13)1-40-46(29)34-44(26,5(39)10(23,24)25)33-45(27,28)35-47(30,41-2-7(14,15)16)37-49(32,43-4-9(20,21)22)38-48(31,36-46)42-3-8(17,18)19/h1-4H2
InChIKeyUNSYMDMGFWURRU-UHFFFAOYSA-N
MW896.01 g/mol
LogP13.95
Rot. Bonds9

About 2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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-[2,4,4,6,8,10,12-heptafluoro-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 89080938) has the molecular formula C10H8F22N6O5P6 and a molecular weight of 896.01 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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-[2,4,4,6,8,10,12-heptafluoro-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 CID89080938
Molecular FormulaC10H8F22N6O5P6
Molecular Weight896.01 g/mol
Exact Mass895.86
IUPAC Name2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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)(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)=N1
InChIInChI=1S/C10H8F22N6O5P6/c11-6(12,13)1-40-46(29)34-44(26,5(39)10(23,24)25)33-45(27,28)35-47(30,41-2-7(14,15)16)37-49(32,43-4-9(20,21)22)38-48(31,36-46)42-3-8(17,18)19/h1-4H2
InChIKeyUNSYMDMGFWURRU-UHFFFAOYSA-N
XLogP13.95
TPSA128.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.01
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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-[2,4,4,6,8,10,12-heptafluoro-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-[2,4,4,6,8,10,12-heptafluoro-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 89080938) is 2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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-[2,4,4,6,8,10,12-heptafluoro-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-[2,4,4,6,8,10,12-heptafluoro-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)(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)=N1.
What is the InChIKey of 2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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 UNSYMDMGFWURRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F22N6O5P6/c11-6(12,13)1-40-46(29)34-44(26,5(39)10(23,24)25)33-45(27,28)35-47(30,41-2-7(14,15)16)37-49(32,43-4-9(20,21)22)38-48(31,36-46)42-3-8(17,18)19/h1-4H2.
What are the key properties of 2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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-[2,4,4,6,8,10,12-heptafluoro-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 896.01 g/mol, XLogP of 13.95, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2,4,4,6,8,10,12-heptafluoro-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 89080938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).