1-ethenyl-4-(trifluoromethyl)benzene
CAS No.：
Cat. No.: SC23282
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Product Name :1-ethenyl-4-(trifluoromethyl)benzene
Cat. No.: :SC23282
Purity / Specification :—
CAS No. :402-50-6
MDL No. :—
Molecular Formula :C9H7F3
LogP :3.70
Molecular Weight :172.15
TPSA :0.0
Category :Building Blocks
HSN Code :—
SMILES Code :C=Cc1ccc(C(F)(F)F)cc1
Melting Point :—
InChI Key : :CEWDRCQPGANDRS-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✓ 172.2 Da
LogP ≤ 5✓ 3.70
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i53/100
Fragment / low drug-likeness
Predicted LogP
i3.70log units
Lipophilic
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.