2,3-difluoro-5-(trifluoromethoxy)aniline
CAS No.：
Cat. No.: SC261716
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Product Name :2,3-difluoro-5-(trifluoromethoxy)aniline
Cat. No.: :SC261716
Purity / Specification :—
CAS No. :1806372-25-7
MDL No. :—
Molecular Formula :C7H4F5NO
LogP :2.60
Molecular Weight :213.11
TPSA :35.3
Category :Drug Discovery
HSN Code :—
SMILES Code :Nc1cc(OC(F)(F)F)cc(F)c1F
Melting Point :—
InChI Key : :KOWORKDIAQEAKL-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✓ 213.1 Da
LogP ≤ 5✓ 2.60
HBD ≤ 5✓ 1
HBA ≤ 10✓ 7
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i2.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 35.3Ų · 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.