3-Fluoro-4-methylbenzonitrile

• Catalog: OFC170572493
• CAS: 170572-49-3
• Category: Fluorinated Nitriles
• Purity: >98%
• MDL Number: MFCD00153174

• 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: 2.26
• MLogP: 2.21
• SILICOS-IT: 2.68
• WLogP: 2.43
• XLogP3: 2.11
• iLogP: 1.88
• 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: GHS06
• Hazard Statements: H301-H311-H315-H319-H332-H335
• Packing Group: Ⅲ
• Precautionary Statements: P261-P280-P305+P351+P338-P311