3-(Trifluoromethyl)phenylacetonitrile

• Catalog: OFC2338763
• CAS: 2338-76-3
• Category: Fluorinated Nitriles
• Purity: 96%
• MDL Number: MFCD00001913

• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• Molar Refractivity: 40.97

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 2.0
• Veber: 0.0
• Consensus LogP: 2.89
• MLogP: 2.82
• SILICOS-IT: 3.15
• WLogP: 3.92
• XLogP3: 2.78
• iLogP: 1.78
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.46 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.22

• GHS Pictogram: GHS02; GHS07
• Hazard Statements: H225-H302+H312+H332-H315-H319-H335
• Packing Group: Ⅲ
• Precautionary Statements: P261-P280-P305+P351+P338