3,3-difluoroazetidine;hydrochloride
CAS No.：
Cat. No.: SC261783
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Product Name :3,3-difluoroazetidine;hydrochloride
Cat. No.: :SC261783
Purity / Specification :—
CAS No. :288315-03-7
MDL No. :MFCD05663714
Molecular Formula :C3H6ClF2N
LogP :0.65
Molecular Weight :129.53
TPSA :12.0
Category :CDMO
HSN Code :—
SMILES Code :Cl.FC1(F)CNC1
Melting Point :—
InChI Key : :CDBAEFXTCRKJPZ-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✓ 129.5 Da
LogP ≤ 5✓ 0.65
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i49/100
Fragment / low drug-likeness
Predicted LogP
i0.65log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 12.0Ų · 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.