4-(Trifluoromethyl)benzonitrile

• Catalog: OFC455185
• CAS: 455-18-5
• Category: Fluorinated Nitriles
• Purity: 98%
• MDL Number: MFCD00001826

• Molecular Formula: C8H4F3N
• Molecular Weight: 171.12
• Molar Refractivity: 36.16

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 2.0
• Veber: 0.0
• Consensus LogP: 2.73
• MLogP: 2.52
• SILICOS-IT: 2.8
• WLogP: 3.73
• XLogP3: 2.79
• iLogP: 1.81
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.36 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12