phenyliodanuidylbenzene tetrafluoroborate

C12H10BF4I-2 — CID 11783546

IUPACphenyliodanuidylbenzene tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10I.BF4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;/q2*-1
InChIKeyCFDUKCJEXALSLN-UHFFFAOYSA-N
MW367.92 g/mol
LogP1.12
Rot. Bonds2

About phenyliodanuidylbenzene tetrafluoroborate

phenyliodanuidylbenzene tetrafluoroborate (PubChem CID 11783546) has the molecular formula C12H10BF4I-2 and a molecular weight of 367.92 g/mol. Its IUPAC name is phenyliodanuidylbenzene tetrafluoroborate.

Molecular Properties

Compound Namephenyliodanuidylbenzene tetrafluoroborate
PubChem CID11783546
Molecular FormulaC12H10BF4I-2
Molecular Weight367.92 g/mol
Exact Mass367.99
IUPAC Namephenyliodanuidylbenzene tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10I.BF4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;/q2*-1
InChIKeyCFDUKCJEXALSLN-UHFFFAOYSA-N
XLogP1.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 51.12
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 phenyliodanuidylbenzene tetrafluoroborate?
The IUPAC name of phenyliodanuidylbenzene tetrafluoroborate (CID 11783546) is phenyliodanuidylbenzene tetrafluoroborate.
What is the SMILES notation for phenyliodanuidylbenzene tetrafluoroborate?
The canonical SMILES for phenyliodanuidylbenzene tetrafluoroborate is F[B-](F)(F)F.c1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of phenyliodanuidylbenzene tetrafluoroborate?
The InChIKey is CFDUKCJEXALSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I.BF4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;/q2*-1.
What are the key properties of phenyliodanuidylbenzene tetrafluoroborate?
phenyliodanuidylbenzene tetrafluoroborate has a molecular weight of 367.92 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyliodanuidylbenzene tetrafluoroborate is sourced from PubChem (CID 11783546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).