tert-Butyl 3-cyano-4-fluorobenzoate

• Catalog: OFC171050070
• CAS: 171050-07-0
• Category: Fluorinated Nitriles
• Purity: 97%
• MDL Number: MFCD22420802

• Molecular Formula: C12H12FNO2
• Molecular Weight: 221.23
• Molar Refractivity: 56.85

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 0.0
• Veber: 0.0
• Consensus LogP: 2.74
• MLogP: 2.56
• SILICOS-IT: 2.9
• WLogP: 3.07
• XLogP3: 2.58
• iLogP: 2.59
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.82 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.33