[2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid

C11H12BFN2O3 — CID 58343938

IUPAC[2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid
SMILESCn1cncc1COc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C11H12BFN2O3/c1-15-7-14-5-8(15)6-18-9-2-3-10(12(16)17)11(13)4-9/h2-5,7,16-17H,6H2,1H3
InChIKeyWICPHRBEZOFAEZ-UHFFFAOYSA-N
MW250.04 g/mol
LogP-0.18
Rot. Bonds4

About [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid

[2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid (PubChem CID 58343938) has the molecular formula C11H12BFN2O3 and a molecular weight of 250.04 g/mol. Its IUPAC name is [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid
PubChem CID58343938
Molecular FormulaC11H12BFN2O3
Molecular Weight250.04 g/mol
Exact Mass250.09
IUPAC Name[2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid
SMILESCn1cncc1COc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C11H12BFN2O3/c1-15-7-14-5-8(15)6-18-9-2-3-10(12(16)17)11(13)4-9/h2-5,7,16-17H,6H2,1H3
InChIKeyWICPHRBEZOFAEZ-UHFFFAOYSA-N
XLogP-0.18
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]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

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid?
The IUPAC name of [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid (CID 58343938) is [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid?
The canonical SMILES for [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid is Cn1cncc1COc1ccc(B(O)O)c(F)c1.
What is the InChIKey of [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid?
The InChIKey is WICPHRBEZOFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BFN2O3/c1-15-7-14-5-8(15)6-18-9-2-3-10(12(16)17)11(13)4-9/h2-5,7,16-17H,6H2,1H3.
What are the key properties of [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid?
[2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid has a molecular weight of 250.04 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 58343938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).