2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone

C8H6F16N4O4P4 — CID 89080948

About 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone

2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone (PubChem CID 89080948) has the molecular formula C8H6F16N4O4P4 and a molecular weight of 650.02 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone
• PubChem CID: 89080948
• Molecular Formula: C8H6F16N4O4P4
• Molecular Weight: 650.02 g/mol
• Exact Mass: 649.91
• IUPAC Name: 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone
• SMILES: 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)=N1
• InChI: InChI=1S/C8H6F16N4O4P4/c9-5(10,11)1-30-34(22)25-33(21,4(29)8(18,19)20)26-35(23,31-2-6(12,13)14)28-36(24,27-34)32-3-7(15,16)17/h1-3H2
• InChIKey: AXALFKLGCKFYHK-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 94.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.02
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone?

The IUPAC name of 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone (CID 89080948) is 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone.

What is the SMILES notation for 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone?

The canonical SMILES for 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-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)=N1.

What is the InChIKey of 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone?

The InChIKey is AXALFKLGCKFYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F16N4O4P4/c9-5(10,11)1-30-34(22)25-33(21,4(29)8(18,19)20)26-35(23,31-2-6(12,13)14)28-36(24,27-34)32-3-7(15,16)17/h1-3H2.

What are the key properties of 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone?

2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone has a molecular weight of 650.02 g/mol, XLogP of 9.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-1-[2,4,6,8-tetrafluoro-4,6,8-tris(2,2,2-trifluoroethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]ethanone is sourced from PubChem (CID 89080948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).