3-Fluoro-2-(trifluoromethyl)benzonitrile

• Catalog: OFC261951819
• CAS: 261951-81-9
• Category: Fluorinated Nitriles
• Purity: 98%
• MDL Number: MFCD01631566

• Molecular Formula: C8H3F4N
• Molecular Weight: 189.11
• Molar Refractivity: 36.12

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 2.0
• Veber: 0.0
• Consensus LogP: 2.97
• MLogP: 2.94
• SILICOS-IT: 3.25
• WLogP: 4.29
• XLogP3: 2.63
• iLogP: 1.75
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.59 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12