2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone

C10H6F20N5O5P5 — CID 89096559

IUPAC2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-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)(C(=O)C(F)(F)F)=N1
InChIInChI=1S/C10H6F20N5O5P5/c11-6(12,13)1-38-43(28)32-41(26,4(36)9(20,21)22)31-42(27,5(37)10(23,24)25)33-44(29,39-2-7(14,15)16)35-45(30,34-43)40-3-8(17,18)19/h1-3H2
InChIKeyHYUAXKGWAIAVSX-UHFFFAOYSA-N
MW811.02 g/mol
LogP11.66
Rot. Bonds8

About 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone

2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone (PubChem CID 89096559) has the molecular formula C10H6F20N5O5P5 and a molecular weight of 811.02 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone
PubChem CID89096559
Molecular FormulaC10H6F20N5O5P5
Molecular Weight811.02 g/mol
Exact Mass810.87
IUPAC Name2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-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)(C(=O)C(F)(F)F)=N1
InChIInChI=1S/C10H6F20N5O5P5/c11-6(12,13)1-38-43(28)32-41(26,4(36)9(20,21)22)31-42(27,5(37)10(23,24)25)33-44(29,39-2-7(14,15)16)35-45(30,34-43)40-3-8(17,18)19/h1-3H2
InChIKeyHYUAXKGWAIAVSX-UHFFFAOYSA-N
XLogP11.66
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.02
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-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-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone (CID 89096559) is 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-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)(C(=O)C(F)(F)F)=N1.
What is the InChIKey of 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone?
The InChIKey is HYUAXKGWAIAVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F20N5O5P5/c11-6(12,13)1-38-43(28)32-41(26,4(36)9(20,21)22)31-42(27,5(37)10(23,24)25)33-44(29,39-2-7(14,15)16)35-45(30,34-43)40-3-8(17,18)19/h1-3H2.
What are the key properties of 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone?
2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone has a molecular weight of 811.02 g/mol, XLogP of 11.66, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2,4,6,8,10-pentafluoro-4-(2,2,2-trifluoroacetyl)-6,8,10-tris(2,2,2-trifluoroethoxy)-1,3,5,7,9-pentaza-2λ5,4λ5,6λ5,8λ5,10λ5-pentaphosphacyclodeca-2,4,6,8,10-pentaen-2-yl]ethanone is sourced from PubChem (CID 89096559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).