phenyliodanuidylbenzene;trifluoroborane;fluoride

C12H10BF4I-2 — CID 163886922

IUPACphenyliodanuidylbenzene;trifluoroborane;fluoride
SMILESFB(F)F.[F-].c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10I.BF3.FH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4;/h1-10H;;1H/q-1;;/p-1
InChIKeyZASQYFVXBGYWNS-UHFFFAOYSA-M
MW367.92 g/mol
LogP-2.30
Rot. Bonds2

About phenyliodanuidylbenzene;trifluoroborane;fluoride

phenyliodanuidylbenzene;trifluoroborane;fluoride (PubChem CID 163886922) has the molecular formula C12H10BF4I-2 and a molecular weight of 367.92 g/mol. Its IUPAC name is phenyliodanuidylbenzene;trifluoroborane;fluoride.

Molecular Properties

Compound Namephenyliodanuidylbenzene;trifluoroborane;fluoride
PubChem CID163886922
Molecular FormulaC12H10BF4I-2
Molecular Weight367.92 g/mol
Exact Mass367.99
IUPAC Namephenyliodanuidylbenzene;trifluoroborane;fluoride
SMILESFB(F)F.[F-].c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C12H10I.BF3.FH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4;/h1-10H;;1H/q-1;;/p-1
InChIKeyZASQYFVXBGYWNS-UHFFFAOYSA-M
XLogP-2.30
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 ≤ 5-2.30
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;trifluoroborane;fluoride?
The IUPAC name of phenyliodanuidylbenzene;trifluoroborane;fluoride (CID 163886922) is phenyliodanuidylbenzene;trifluoroborane;fluoride.
What is the SMILES notation for phenyliodanuidylbenzene;trifluoroborane;fluoride?
The canonical SMILES for phenyliodanuidylbenzene;trifluoroborane;fluoride is FB(F)F.[F-].c1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of phenyliodanuidylbenzene;trifluoroborane;fluoride?
The InChIKey is ZASQYFVXBGYWNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10I.BF3.FH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4;/h1-10H;;1H/q-1;;/p-1.
What are the key properties of phenyliodanuidylbenzene;trifluoroborane;fluoride?
phenyliodanuidylbenzene;trifluoroborane;fluoride has a molecular weight of 367.92 g/mol, XLogP of -2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyliodanuidylbenzene;trifluoroborane;fluoride is sourced from PubChem (CID 163886922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).