(3-fluoro-4-methoxyphenyl)boronic acid

C7H8BFO3 — CID 2782194

IUPAC(3-fluoro-4-methoxyphenyl)boronic acid
SMILESCOc1ccc(B(O)O)cc1F
InChIInChI=1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
InChIKeyIILGLPAJXQMKGQ-UHFFFAOYSA-N
MW169.95 g/mol
LogP-0.49
Rot. Bonds2

About (3-fluoro-4-methoxyphenyl)boronic acid

(3-fluoro-4-methoxyphenyl)boronic acid (PubChem CID 2782194) has the molecular formula C7H8BFO3 and a molecular weight of 169.95 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)boronic acid
PubChem CID2782194
Molecular FormulaC7H8BFO3
Molecular Weight169.95 g/mol
Exact Mass170.06
IUPAC Name(3-fluoro-4-methoxyphenyl)boronic acid
SMILESCOc1ccc(B(O)O)cc1F
InChIInChI=1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
InChIKeyIILGLPAJXQMKGQ-UHFFFAOYSA-N
XLogP-0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.95
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-fluoro-4-methoxyphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
CID 44717669
3-fluoro-4-methoxyphenol
CID 14661613
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
(3-acetyloxy-4-methoxyphenyl)boronic acid
CID 119084154
(3-borono-4-fluorophenyl)boronic acid
CID 150550580
(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
CID 164891882
[4-(difluoromethoxy)-3-fluoro-5-methoxyphenyl]boronic acid
CID 164894423
(3-fluoro-4-methoxyphenyl)phosphane
CID 89093629
(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
(4-tert-butyl-3-fluorophenyl)boronic acid
CID 140655563
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)boronic acid?
The IUPAC name of (3-fluoro-4-methoxyphenyl)boronic acid (CID 2782194) is (3-fluoro-4-methoxyphenyl)boronic acid.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)boronic acid?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)boronic acid is COc1ccc(B(O)O)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)boronic acid?
The InChIKey is IILGLPAJXQMKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)boronic acid?
(3-fluoro-4-methoxyphenyl)boronic acid has a molecular weight of 169.95 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)boronic acid is sourced from PubChem (CID 2782194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).