1-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)benzene
CAS No.：
Cat. No.: SC251211
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Product Name :1-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)benzene
Cat. No.: :SC251211
Purity / Specification :—
CAS No. :1240257-47-9
MDL No. :—
Molecular Formula :C8H5BrF4O
LogP :3.80
Molecular Weight :273.02
TPSA :9.2
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=CC(=C(C=C1OC(F)(F)F)F)CBr
Melting Point :—
InChI Key : :NLXMTHLJHXYXJN-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✓ 273.0 Da
LogP ≤ 5✓ 3.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i3.80log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 9.2Ų · 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.