2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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

C8H6F18N5O4P5 — CID 89096569

IUPAC2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C8H6F18N5O4P5/c9-5(10,11)1-33-38(24)28-36(21,4(32)8(18,19)20)27-37(22,23)29-39(25,34-2-6(12,13)14)31-40(26,30-38)35-3-7(15,16)17/h1-3H2
InChIKeyJJFAREIXAIHKQA-UHFFFAOYSA-N
MW733.00 g/mol
LogP11.46
Rot. Bonds7

About 2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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-[2,4,4,6,8,10-hexafluoro-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 89096569) has the molecular formula C8H6F18N5O4P5 and a molecular weight of 733.00 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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-[2,4,4,6,8,10-hexafluoro-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 CID89096569
Molecular FormulaC8H6F18N5O4P5
Molecular Weight733.00 g/mol
Exact Mass732.88
IUPAC Name2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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)(F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=NP(F)(OCC(F)(F)F)=N1
InChIInChI=1S/C8H6F18N5O4P5/c9-5(10,11)1-33-38(24)28-36(21,4(32)8(18,19)20)27-37(22,23)29-39(25,34-2-6(12,13)14)31-40(26,30-38)35-3-7(15,16)17/h1-3H2
InChIKeyJJFAREIXAIHKQA-UHFFFAOYSA-N
XLogP11.46
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.00
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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-[2,4,4,6,8,10-hexafluoro-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 89096569) is 2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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-[2,4,4,6,8,10-hexafluoro-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-[2,4,4,6,8,10-hexafluoro-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)(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-hexafluoro-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 JJFAREIXAIHKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F18N5O4P5/c9-5(10,11)1-33-38(24)28-36(21,4(32)8(18,19)20)27-37(22,23)29-39(25,34-2-6(12,13)14)31-40(26,30-38)35-3-7(15,16)17/h1-3H2.
What are the key properties of 2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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-[2,4,4,6,8,10-hexafluoro-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 733.00 g/mol, XLogP of 11.46, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2,4,4,6,8,10-hexafluoro-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 89096569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).