phenylazanium;tetrakis(2-fluorophenyl)boranuide

C30H24BF4N — CID 139716039

IUPACphenylazanium;tetrakis(2-fluorophenyl)boranuide
SMILESFc1ccccc1[B-](c1ccccc1F)(c1ccccc1F)c1ccccc1F.[NH3+]c1ccccc1
InChIInChI=1S/C24H16BF4.C6H7N/c26-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27,19-11-3-7-15-23(19)28)20-12-4-8-16-24(20)29;7-6-4-2-1-3-5-6/h1-16H;1-5H,7H2/q-1;/p+1
InChIKeyAUCSTEVULQJHKF-UHFFFAOYSA-O
MW485.33 g/mol
LogP4.18
Rot. Bonds4

About phenylazanium;tetrakis(2-fluorophenyl)boranuide

phenylazanium;tetrakis(2-fluorophenyl)boranuide (PubChem CID 139716039) has the molecular formula C30H24BF4N and a molecular weight of 485.33 g/mol. Its IUPAC name is phenylazanium;tetrakis(2-fluorophenyl)boranuide.

Molecular Properties

Compound Namephenylazanium;tetrakis(2-fluorophenyl)boranuide
PubChem CID139716039
Molecular FormulaC30H24BF4N
Molecular Weight485.33 g/mol
Exact Mass485.19
IUPAC Namephenylazanium;tetrakis(2-fluorophenyl)boranuide
SMILESFc1ccccc1[B-](c1ccccc1F)(c1ccccc1F)c1ccccc1F.[NH3+]c1ccccc1
InChIInChI=1S/C24H16BF4.C6H7N/c26-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27,19-11-3-7-15-23(19)28)20-12-4-8-16-24(20)29;7-6-4-2-1-3-5-6/h1-16H;1-5H,7H2/q-1;/p+1
InChIKeyAUCSTEVULQJHKF-UHFFFAOYSA-O
XLogP4.18
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
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 phenylazanium;tetrakis(2-fluorophenyl)boranuide?
The IUPAC name of phenylazanium;tetrakis(2-fluorophenyl)boranuide (CID 139716039) is phenylazanium;tetrakis(2-fluorophenyl)boranuide.
What is the SMILES notation for phenylazanium;tetrakis(2-fluorophenyl)boranuide?
The canonical SMILES for phenylazanium;tetrakis(2-fluorophenyl)boranuide is Fc1ccccc1[B-](c1ccccc1F)(c1ccccc1F)c1ccccc1F.[NH3+]c1ccccc1.
What is the InChIKey of phenylazanium;tetrakis(2-fluorophenyl)boranuide?
The InChIKey is AUCSTEVULQJHKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16BF4.C6H7N/c26-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27,19-11-3-7-15-23(19)28)20-12-4-8-16-24(20)29;7-6-4-2-1-3-5-6/h1-16H;1-5H,7H2/q-1;/p+1.
What are the key properties of phenylazanium;tetrakis(2-fluorophenyl)boranuide?
phenylazanium;tetrakis(2-fluorophenyl)boranuide has a molecular weight of 485.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylazanium;tetrakis(2-fluorophenyl)boranuide is sourced from PubChem (CID 139716039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).