(5-bromo-2-fluorophenyl)boronic acid

C6H5BBrFO2 — CID 10856974

IUPAC(5-bromo-2-fluorophenyl)boronic acid
SMILESOB(O)c1cc(Br)ccc1F
InChIInChI=1S/C6H5BBrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChIKeyIGBDPRKNAFOOGY-UHFFFAOYSA-N
MW218.82 g/mol
LogP0.27
Rot. Bonds1

About (5-bromo-2-fluorophenyl)boronic acid

(5-bromo-2-fluorophenyl)boronic acid (PubChem CID 10856974) has the molecular formula C6H5BBrFO2 and a molecular weight of 218.82 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)boronic acid
PubChem CID10856974
Molecular FormulaC6H5BBrFO2
Molecular Weight218.82 g/mol
Exact Mass217.96
IUPAC Name(5-bromo-2-fluorophenyl)boronic acid
SMILESOB(O)c1cc(Br)ccc1F
InChIInChI=1S/C6H5BBrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
InChIKeyIGBDPRKNAFOOGY-UHFFFAOYSA-N
XLogP0.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.82
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (5-bromo-2-fluorophenyl)boronic acid?
The IUPAC name of (5-bromo-2-fluorophenyl)boronic acid (CID 10856974) is (5-bromo-2-fluorophenyl)boronic acid.
What is the SMILES notation for (5-bromo-2-fluorophenyl)boronic acid?
The canonical SMILES for (5-bromo-2-fluorophenyl)boronic acid is OB(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)boronic acid?
The InChIKey is IGBDPRKNAFOOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BBrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H.
What are the key properties of (5-bromo-2-fluorophenyl)boronic acid?
(5-bromo-2-fluorophenyl)boronic acid has a molecular weight of 218.82 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)boronic acid is sourced from PubChem (CID 10856974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).