fluorooxyboronic acid

H2BFO3 — CID 19813750

IUPACfluorooxyboronic acid
SMILESOB(O)OF
InChIInChI=1S/BFH2O3/c2-5-1(3)4/h3-4H
InChIKeyOCIFZBONRSADGH-UHFFFAOYSA-N
MW79.82 g/mol
LogP-1.14
Rot. Bonds1

About fluorooxyboronic acid

fluorooxyboronic acid (PubChem CID 19813750) has the molecular formula H2BFO3 and a molecular weight of 79.82 g/mol. Its IUPAC name is fluorooxyboronic acid.

Molecular Properties

Compound Namefluorooxyboronic acid
PubChem CID19813750
Molecular FormulaH2BFO3
Molecular Weight79.82 g/mol
Exact Mass80.01
IUPAC Namefluorooxyboronic acid
SMILESOB(O)OF
InChIInChI=1S/BFH2O3/c2-5-1(3)4/h3-4H
InChIKeyOCIFZBONRSADGH-UHFFFAOYSA-N
XLogP-1.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.82
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluorooxyboronic acid?
The IUPAC name of fluorooxyboronic acid (CID 19813750) is fluorooxyboronic acid.
What is the SMILES notation for fluorooxyboronic acid?
The canonical SMILES for fluorooxyboronic acid is OB(O)OF.
What is the InChIKey of fluorooxyboronic acid?
The InChIKey is OCIFZBONRSADGH-UHFFFAOYSA-N. The full InChI is InChI=1S/BFH2O3/c2-5-1(3)4/h3-4H.
What are the key properties of fluorooxyboronic acid?
fluorooxyboronic acid has a molecular weight of 79.82 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxyboronic acid is sourced from PubChem (CID 19813750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).