5-(trifluoromethyl)-1,3-dihydroindol-2-one
CAS No.：
Cat. No.: SC251320
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Product Name :5-(trifluoromethyl)-1,3-dihydroindol-2-one
Cat. No.: :SC251320
Purity / Specification :—
CAS No. :71293-62-4
MDL No. :MFCD02179602
Molecular Formula :C9H6F3NO
LogP :2.00
Molecular Weight :201.15
TPSA :29.1
Category :CRO / Contract Research
HSN Code :—
SMILES Code :O=C1Cc2cc(C(F)(F)F)ccc2N1
Melting Point :—
InChI Key : :RANTVMNWZIWPNR-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✓ 201.1 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 29.1Ų · 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.