trifluoro(phenyliodoniooxy)boranuide

C6H5BF3IO — CID 102328105

IUPACtrifluoro(phenyliodoniooxy)boranuide
SMILESF[B-](F)(F)O[I+]c1ccccc1
InChIInChI=1S/C6H5BF3IO/c8-7(9,10)12-11-6-4-2-1-3-5-6/h1-5H
InChIKeySFEUTQQRDXKYFX-UHFFFAOYSA-N
MW287.81 g/mol
LogP-0.78
Rot. Bonds3

About trifluoro(phenyliodoniooxy)boranuide

trifluoro(phenyliodoniooxy)boranuide (PubChem CID 102328105) has the molecular formula C6H5BF3IO and a molecular weight of 287.81 g/mol. Its IUPAC name is trifluoro(phenyliodoniooxy)boranuide.

Molecular Properties

Compound Nametrifluoro(phenyliodoniooxy)boranuide
PubChem CID102328105
Molecular FormulaC6H5BF3IO
Molecular Weight287.81 g/mol
Exact Mass287.94
IUPAC Nametrifluoro(phenyliodoniooxy)boranuide
SMILESF[B-](F)(F)O[I+]c1ccccc1
InChIInChI=1S/C6H5BF3IO/c8-7(9,10)12-11-6-4-2-1-3-5-6/h1-5H
InChIKeySFEUTQQRDXKYFX-UHFFFAOYSA-N
XLogP-0.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trifluoro(phenyliodoniooxy)boranuide?
The IUPAC name of trifluoro(phenyliodoniooxy)boranuide (CID 102328105) is trifluoro(phenyliodoniooxy)boranuide.
What is the SMILES notation for trifluoro(phenyliodoniooxy)boranuide?
The canonical SMILES for trifluoro(phenyliodoniooxy)boranuide is F[B-](F)(F)O[I+]c1ccccc1.
What is the InChIKey of trifluoro(phenyliodoniooxy)boranuide?
The InChIKey is SFEUTQQRDXKYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BF3IO/c8-7(9,10)12-11-6-4-2-1-3-5-6/h1-5H.
What are the key properties of trifluoro(phenyliodoniooxy)boranuide?
trifluoro(phenyliodoniooxy)boranuide has a molecular weight of 287.81 g/mol, XLogP of -0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(phenyliodoniooxy)boranuide is sourced from PubChem (CID 102328105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).