sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate

C24H20BF4NaO2 — CID 45073643

IUPACsodium;tetrakis(4-fluorophenyl)boranuide;dihydrate
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O.O.[Na+]
InChIInChI=1S/C24H16BF4.Na.2H2O/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;;2*1H2/q-1;+1;;
InChIKeyMSDGDEJOIBMWJD-UHFFFAOYSA-N
MW450.22 g/mol
LogP-1.02
Rot. Bonds4

About sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate

sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate (PubChem CID 45073643) has the molecular formula C24H20BF4NaO2 and a molecular weight of 450.22 g/mol. Its IUPAC name is sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate.

Molecular Properties

Compound Namesodium;tetrakis(4-fluorophenyl)boranuide;dihydrate
PubChem CID45073643
Molecular FormulaC24H20BF4NaO2
Molecular Weight450.22 g/mol
Exact Mass450.14
IUPAC Namesodium;tetrakis(4-fluorophenyl)boranuide;dihydrate
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O.O.[Na+]
InChIInChI=1S/C24H16BF4.Na.2H2O/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;;2*1H2/q-1;+1;;
InChIKeyMSDGDEJOIBMWJD-UHFFFAOYSA-N
XLogP-1.02
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.22
LogP ≤ 5-1.02
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;dihydrate?
The IUPAC name of sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate (CID 45073643) is sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate.
What is the SMILES notation for sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate?
The canonical SMILES for sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate is Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O.O.[Na+].
What is the InChIKey of sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate?
The InChIKey is MSDGDEJOIBMWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BF4.Na.2H2O/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;;2*1H2/q-1;+1;;.
What are the key properties of sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate?
sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate has a molecular weight of 450.22 g/mol, XLogP of -1.02, 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;dihydrate is sourced from PubChem (CID 45073643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).