sodium tetrakis(4-fluorophenyl)boranuide

C24H16BF4Na — CID 23681137

IUPACsodium tetrakis(4-fluorophenyl)boranuide
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Na+]
InChIInChI=1S/C24H16BF4.Na/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1
InChIKeySHCUEWMHZQGOBL-UHFFFAOYSA-N
MW414.19 g/mol
LogP0.62
Rot. Bonds4

About sodium tetrakis(4-fluorophenyl)boranuide

sodium tetrakis(4-fluorophenyl)boranuide (PubChem CID 23681137) has the molecular formula C24H16BF4Na and a molecular weight of 414.19 g/mol. Its IUPAC name is sodium tetrakis(4-fluorophenyl)boranuide.

Molecular Properties

Compound Namesodium tetrakis(4-fluorophenyl)boranuide
PubChem CID23681137
Molecular FormulaC24H16BF4Na
Molecular Weight414.19 g/mol
Exact Mass414.12
IUPAC Namesodium tetrakis(4-fluorophenyl)boranuide
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Na+]
InChIInChI=1S/C24H16BF4.Na/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1
InChIKeySHCUEWMHZQGOBL-UHFFFAOYSA-N
XLogP0.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium tetrakis(4-fluorophenyl)boranuide?
The IUPAC name of sodium tetrakis(4-fluorophenyl)boranuide (CID 23681137) is sodium tetrakis(4-fluorophenyl)boranuide.
What is the SMILES notation for sodium tetrakis(4-fluorophenyl)boranuide?
The canonical SMILES for sodium tetrakis(4-fluorophenyl)boranuide is Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Na+].
What is the InChIKey of sodium tetrakis(4-fluorophenyl)boranuide?
The InChIKey is SHCUEWMHZQGOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BF4.Na/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1.
What are the key properties of sodium tetrakis(4-fluorophenyl)boranuide?
sodium tetrakis(4-fluorophenyl)boranuide has a molecular weight of 414.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetrakis(4-fluorophenyl)boranuide is sourced from PubChem (CID 23681137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).