Potassium butan-2-yl(trifluoro)boranuide
CAS No.：
Cat. No.: SC20081
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Product Name :Potassium butan-2-yl(trifluoro)boranuide
Cat. No.: :SC20081
Purity / Specification :—
CAS No. :958449-00-8
MDL No. :MFCD08276880
Molecular Formula :C4H9BF3K
LogP :-0.36
Molecular Weight :164.02
TPSA :0.0
Category :Building Blocks
HSN Code :—
SMILES Code :CCC(C)[B-](F)(F)F.[K+]
Melting Point :—
InChI Key : :WOHBSAAEEGTTTL-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✓ 164.0 Da
LogP ≤ 5✓ -0.36
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i46/100
Fragment / low drug-likeness
Predicted LogP
i-0.36log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 0.0Ų · 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.