6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CAS No.：
Cat. No.: SC261662
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Product Name :6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
Cat. No.: :SC261662
Purity / Specification :—
CAS No. :105655-00-3
MDL No. :—
Molecular Formula :C8H8FNO
LogP :1.80
Molecular Weight :153.16
TPSA :21.3
Category :Drug Discovery
HSN Code :—
SMILES Code :Fc1ccc2c(c1)NCCO2
Melting Point :—
InChI Key : :FQKORLPTBCMNGR-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✓ 153.2 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i63/100
Moderate — typical building block
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 21.3Ų · 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.