dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)

C73H66AsBF13I3O12 — CID 159231704

About dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)

dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium) (PubChem CID 159231704) has the molecular formula C73H66AsBF13I3O12 and a molecular weight of 1848.74 g/mol. Its IUPAC name is dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium).

Molecular Properties

• Compound Name: dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)
• PubChem CID: 159231704
• Molecular Formula: C73H66AsBF13I3O12
• Molecular Weight: 1848.74 g/mol
• Exact Mass: 1848.08
• IUPAC Name: dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)
• SMILES: F[As-](F)(F)(F)(F)F.[O-]B([O-])Oc1c(F)c(F)c(F)c(F)c1C(F)(F)F.c1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1.c1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1.c1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1
• InChI: InChI=1S/3C22H22IO3.C7BF7O3.AsF6/c3*1-3-9-19(10-4-1)23-21-13-7-8-14-22(21)26-18-16-24-15-17-25-20-11-5-2-6-12-20;9-2-1(7(13,14)15)6(18-8(16)17)5(12)4(11)3(2)10;2-1(3,4,5,6)7/h3*1-14H,15-18H2;;/q3*+1;-2;-1
• InChIKey: KSZIWWNIHXQWLS-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 138.42 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.74
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)?

The IUPAC name of dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium) (CID 159231704) is dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium).

What is the SMILES notation for dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)?

The canonical SMILES for dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium) is F[As-](F)(F)(F)(F)F.[O-]B([O-])Oc1c(F)c(F)c(F)c(F)c1C(F)(F)F.c1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1.c1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1.c1ccc(OCCOCCOc2ccccc2[I+]c2ccccc2)cc1.

What is the InChIKey of dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)?

The InChIKey is KSZIWWNIHXQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H22IO3.C7BF7O3.AsF6/c3*1-3-9-19(10-4-1)23-21-13-7-8-14-22(21)26-18-16-24-15-17-25-20-11-5-2-6-12-20;9-2-1(7(13,14)15)6(18-8(16)17)5(12)4(11)3(2)10;2-1(3,4,5,6)7/h3*1-14H,15-18H2;;/q3*+1;-2;-1.

What are the key properties of dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium)?

dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium) has a molecular weight of 1848.74 g/mol, XLogP of 6.35, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for dioxido-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenoxy]borane;hexafluoroarsenic(1-);tris([2-[2-(2-phenoxyethoxy)ethoxy]phenyl]-phenyliodanium) is sourced from PubChem (CID 159231704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).