(7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid

C8H8BFO4 — CID 175893139

IUPAC(7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid
SMILESOB(O)Oc1cc(F)c2c(c1)COC2
InChIInChI=1S/C8H8BFO4/c10-8-2-6(14-9(11)12)1-5-3-13-4-7(5)8/h1-2,11-12H,3-4H2
InChIKeyVZCFAUTTYNWBPH-UHFFFAOYSA-N
MW197.96 g/mol
LogP0.20
Rot. Bonds2

About (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid

(7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid (PubChem CID 175893139) has the molecular formula C8H8BFO4 and a molecular weight of 197.96 g/mol. Its IUPAC name is (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid.

Molecular Properties

Compound Name(7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid
PubChem CID175893139
Molecular FormulaC8H8BFO4
Molecular Weight197.96 g/mol
Exact Mass198.05
IUPAC Name(7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid
SMILESOB(O)Oc1cc(F)c2c(c1)COC2
InChIInChI=1S/C8H8BFO4/c10-8-2-6(14-9(11)12)1-5-3-13-4-7(5)8/h1-2,11-12H,3-4H2
InChIKeyVZCFAUTTYNWBPH-UHFFFAOYSA-N
XLogP0.20
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.96
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid?
The IUPAC name of (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid (CID 175893139) is (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid.
What is the SMILES notation for (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid?
The canonical SMILES for (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid is OB(O)Oc1cc(F)c2c(c1)COC2.
What is the InChIKey of (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid?
The InChIKey is VZCFAUTTYNWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BFO4/c10-8-2-6(14-9(11)12)1-5-3-13-4-7(5)8/h1-2,11-12H,3-4H2.
What are the key properties of (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid?
(7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid has a molecular weight of 197.96 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1,3-dihydro-2-benzofuran-5-yl)oxyboronic acid is sourced from PubChem (CID 175893139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).