bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide

C25H4BF18- — CID 162205470

About bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide

bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide (PubChem CID 162205470) has the molecular formula C25H4BF18- and a molecular weight of 657.08 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide.

Molecular Properties

• Compound Name: bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide
• PubChem CID: 162205470
• Molecular Formula: C25H4BF18-
• Molecular Weight: 657.08 g/mol
• Exact Mass: 657.01
• IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide
• SMILES: Cc1c(F)c(F)c([B-](c2c(F)cc(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C25H4BF18/c1-3-10(29)14(33)7(15(34)11(3)30)26(6-4(27)2-5(28)12(31)13(6)32,8-16(35)20(39)24(43)21(40)17(8)36)9-18(37)22(41)25(44)23(42)19(9)38/h2H,1H3/q-1
• InChIKey: XIGFOSRGULCSBT-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.08
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide?

The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide (CID 162205470) is bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide.

What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide?

The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide is Cc1c(F)c(F)c([B-](c2c(F)cc(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.

What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide?

The InChIKey is XIGFOSRGULCSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H4BF18/c1-3-10(29)14(33)7(15(34)11(3)30)26(6-4(27)2-5(28)12(31)13(6)32,8-16(35)20(39)24(43)21(40)17(8)36)9-18(37)22(41)25(44)23(42)19(9)38/h2H,1H3/q-1.

What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide?

bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide has a molecular weight of 657.08 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide is sourced from PubChem (CID 162205470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).