4-Bromo-2-(trifluoromethyl)benzonitrile

• Catalog: OFC191165136
• CAS: 191165-13-6
• Category: Fluorinated Nitriles
• Purity: 97%
• MDL Number: MFCD06659466

• Molecular Formula: C8H3BrF3N
• Molecular Weight: 250.02
• Molar Refractivity: 43.86

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 1.0
• Veber: 0.0
• Consensus LogP: 3.31
• MLogP: 3.23
• SILICOS-IT: 3.5
• WLogP: 4.49
• XLogP3: 3.22
• iLogP: 2.1
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.54 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12