3-Fluoro-5-methylbenzonitrile

• Catalog: OFC216976306
• CAS: 216976-30-6
• Category: Fluorinated Nitriles
• Purity: 97%
• MDL Number: MFCD03094312

• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• Molar Refractivity: 36.08

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 2.0
• Veber: 0.0
• Consensus LogP: 2.27
• MLogP: 2.21
• SILICOS-IT: 2.68
• WLogP: 2.43
• XLogP3: 2.11
• iLogP: 1.91
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.63 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12

• GHS Pictogram: GHS07
• Hazard Statements: H302-H312-H319-H332
• Precautionary Statements: P280-P310-P305+P351+P338