(7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid

C8H8BFO3 — CID 154669878

IUPAC(7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid
SMILESOB(O)c1ccc2c(c1F)OCC2
InChIInChI=1S/C8H8BFO3/c10-7-6(9(11)12)2-1-5-3-4-13-8(5)7/h1-2,11-12H,3-4H2
InChIKeyITSNQRMHEBGWKM-UHFFFAOYSA-N
MW181.96 g/mol
LogP-0.56
Rot. Bonds1

About (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid

(7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid (PubChem CID 154669878) has the molecular formula C8H8BFO3 and a molecular weight of 181.96 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid
PubChem CID154669878
Molecular FormulaC8H8BFO3
Molecular Weight181.96 g/mol
Exact Mass182.06
IUPAC Name(7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid
SMILESOB(O)c1ccc2c(c1F)OCC2
InChIInChI=1S/C8H8BFO3/c10-7-6(9(11)12)2-1-5-3-4-13-8(5)7/h1-2,11-12H,3-4H2
InChIKeyITSNQRMHEBGWKM-UHFFFAOYSA-N
XLogP-0.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.96
LogP ≤ 5-0.56
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-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid?
The IUPAC name of (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid (CID 154669878) is (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid.
What is the SMILES notation for (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid?
The canonical SMILES for (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid is OB(O)c1ccc2c(c1F)OCC2.
What is the InChIKey of (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid?
The InChIKey is ITSNQRMHEBGWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BFO3/c10-7-6(9(11)12)2-1-5-3-4-13-8(5)7/h1-2,11-12H,3-4H2.
What are the key properties of (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid?
(7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid has a molecular weight of 181.96 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid is sourced from PubChem (CID 154669878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).