aminooxy-(4-fluorophenoxy)borinic acid

C6H7BFNO3 — CID 175593110

IUPACaminooxy-(4-fluorophenoxy)borinic acid
SMILESNOB(O)Oc1ccc(F)cc1
InChIInChI=1S/C6H7BFNO3/c8-5-1-3-6(4-2-5)11-7(10)12-9/h1-4,10H,9H2
InChIKeyKMACUOJPHXSFJI-UHFFFAOYSA-N
MW170.94 g/mol
LogP0.07
Rot. Bonds3

About aminooxy-(4-fluorophenoxy)borinic acid

aminooxy-(4-fluorophenoxy)borinic acid (PubChem CID 175593110) has the molecular formula C6H7BFNO3 and a molecular weight of 170.94 g/mol. Its IUPAC name is aminooxy-(4-fluorophenoxy)borinic acid.

Molecular Properties

Compound Nameaminooxy-(4-fluorophenoxy)borinic acid
PubChem CID175593110
Molecular FormulaC6H7BFNO3
Molecular Weight170.94 g/mol
Exact Mass171.05
IUPAC Nameaminooxy-(4-fluorophenoxy)borinic acid
SMILESNOB(O)Oc1ccc(F)cc1
InChIInChI=1S/C6H7BFNO3/c8-5-1-3-6(4-2-5)11-7(10)12-9/h1-4,10H,9H2
InChIKeyKMACUOJPHXSFJI-UHFFFAOYSA-N
XLogP0.07
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.94
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminooxy-(4-fluorophenoxy)borinic acid?
The IUPAC name of aminooxy-(4-fluorophenoxy)borinic acid (CID 175593110) is aminooxy-(4-fluorophenoxy)borinic acid.
What is the SMILES notation for aminooxy-(4-fluorophenoxy)borinic acid?
The canonical SMILES for aminooxy-(4-fluorophenoxy)borinic acid is NOB(O)Oc1ccc(F)cc1.
What is the InChIKey of aminooxy-(4-fluorophenoxy)borinic acid?
The InChIKey is KMACUOJPHXSFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO3/c8-5-1-3-6(4-2-5)11-7(10)12-9/h1-4,10H,9H2.
What are the key properties of aminooxy-(4-fluorophenoxy)borinic acid?
aminooxy-(4-fluorophenoxy)borinic acid has a molecular weight of 170.94 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy-(4-fluorophenoxy)borinic acid is sourced from PubChem (CID 175593110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).