2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

C3F14N4O3P4 — CID 59283648

About 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 59283648) has the molecular formula C3F14N4O3P4 and a molecular weight of 529.93 g/mol. Its IUPAC name is 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

• Compound Name: 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
• PubChem CID: 59283648
• Molecular Formula: C3F14N4O3P4
• Molecular Weight: 529.93 g/mol
• Exact Mass: 529.87
• IUPAC Name: 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
• SMILES: FC(F)(F)OP1(F)=NP(F)(F)=NP(F)(OC(F)(F)F)=NP(F)(OC(F)(F)F)=N1
• InChI: InChI=1S/C3F14N4O3P4/c4-1(5,6)22-26(15)18-25(13,14)19-27(16,23-2(7,8)9)21-28(17,20-26)24-3(10,11)12
• InChIKey: LSDMNOAFQVQGQQ-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 77.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.93
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

The IUPAC name of 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 59283648) is 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

What is the SMILES notation for 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

The canonical SMILES for 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is FC(F)(F)OP1(F)=NP(F)(F)=NP(F)(OC(F)(F)F)=NP(F)(OC(F)(F)F)=N1.

What is the InChIKey of 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

The InChIKey is LSDMNOAFQVQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F14N4O3P4/c4-1(5,6)22-26(15)18-25(13,14)19-27(16,23-2(7,8)9)21-28(17,20-26)24-3(10,11)12.

What are the key properties of 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?

2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 529.93 g/mol, XLogP of 9.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4,6,8-pentafluoro-4,6,8-tris(trifluoromethoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 59283648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).