(7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid

C8H5BBrFO3 — CID 164895320

IUPAC(7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid
SMILESOB(O)c1cc2c(F)ccc(Br)c2o1
InChIInChI=1S/C8H5BBrFO3/c10-5-1-2-6(11)4-3-7(9(12)13)14-8(4)5/h1-3,12-13H
InChIKeyRAXHORUIMAYTOB-UHFFFAOYSA-N
MW258.84 g/mol
LogP1.01
Rot. Bonds1

About (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid

(7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid (PubChem CID 164895320) has the molecular formula C8H5BBrFO3 and a molecular weight of 258.84 g/mol. Its IUPAC name is (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid.

Molecular Properties

Compound Name(7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid
PubChem CID164895320
Molecular FormulaC8H5BBrFO3
Molecular Weight258.84 g/mol
Exact Mass257.95
IUPAC Name(7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid
SMILESOB(O)c1cc2c(F)ccc(Br)c2o1
InChIInChI=1S/C8H5BBrFO3/c10-5-1-2-6(11)4-3-7(9(12)13)14-8(4)5/h1-3,12-13H
InChIKeyRAXHORUIMAYTOB-UHFFFAOYSA-N
XLogP1.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 51.01
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 (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid?
The IUPAC name of (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid (CID 164895320) is (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid.
What is the SMILES notation for (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid?
The canonical SMILES for (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid is OB(O)c1cc2c(F)ccc(Br)c2o1.
What is the InChIKey of (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid?
The InChIKey is RAXHORUIMAYTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BBrFO3/c10-5-1-2-6(11)4-3-7(9(12)13)14-8(4)5/h1-3,12-13H.
What are the key properties of (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid?
(7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid has a molecular weight of 258.84 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4-fluoro-1-benzofuran-2-yl)boronic acid is sourced from PubChem (CID 164895320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).