[4-(difluoromethoxy)phenyl]boronic acid
CAS No.：
Cat. No.: SC23473
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Product Name :[4-(difluoromethoxy)phenyl]boronic acid
Cat. No.: :SC23473
Purity / Specification :—
CAS No. :688810-12-0
MDL No. :MFCD09864667
Molecular Formula :C7H7BF2O3
LogP :-0.03
Molecular Weight :187.94
TPSA :49.7
Category :Building Blocks
HSN Code :—
SMILES Code :OB(O)c1ccc(OC(F)F)cc1
Melting Point :—
InChI Key : :MFZNJRNTHPKCFY-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 187.9 Da
LogP ≤ 5✓ -0.03
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i61/100
Moderate — typical building block
Predicted LogP
i-0.03log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 49.7Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.