phenyliodanium tetrafluoroborate

C6H6BF4I — CID 87283561

IUPACphenyliodanium tetrafluoroborate
SMILESF[B-](F)(F)F.[IH+]c1ccccc1
InChIInChI=1S/C6H6I.BF4/c7-6-4-2-1-3-5-6;2-1(3,4)5/h1-5,7H;/q+1;-1
InChIKeyNLYDZGJEVQRCIX-UHFFFAOYSA-N
MW291.82 g/mol
LogP-0.56
Rot. Bonds

About phenyliodanium tetrafluoroborate

phenyliodanium tetrafluoroborate (PubChem CID 87283561) has the molecular formula C6H6BF4I and a molecular weight of 291.82 g/mol. Its IUPAC name is phenyliodanium tetrafluoroborate.

Molecular Properties

Compound Namephenyliodanium tetrafluoroborate
PubChem CID87283561
Molecular FormulaC6H6BF4I
Molecular Weight291.82 g/mol
Exact Mass291.95
IUPAC Namephenyliodanium tetrafluoroborate
SMILESF[B-](F)(F)F.[IH+]c1ccccc1
InChIInChI=1S/C6H6I.BF4/c7-6-4-2-1-3-5-6;2-1(3,4)5/h1-5,7H;/q+1;-1
InChIKeyNLYDZGJEVQRCIX-UHFFFAOYSA-N
XLogP-0.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyliodanium tetrafluoroborate?
The IUPAC name of phenyliodanium tetrafluoroborate (CID 87283561) is phenyliodanium tetrafluoroborate.
What is the SMILES notation for phenyliodanium tetrafluoroborate?
The canonical SMILES for phenyliodanium tetrafluoroborate is F[B-](F)(F)F.[IH+]c1ccccc1.
What is the InChIKey of phenyliodanium tetrafluoroborate?
The InChIKey is NLYDZGJEVQRCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6I.BF4/c7-6-4-2-1-3-5-6;2-1(3,4)5/h1-5,7H;/q+1;-1.
What are the key properties of phenyliodanium tetrafluoroborate?
phenyliodanium tetrafluoroborate has a molecular weight of 291.82 g/mol, XLogP of -0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyliodanium tetrafluoroborate is sourced from PubChem (CID 87283561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).