3-Fluoro-4-trifluoromethylbenzonitrile

• Catalog: OFC231953381-1
• CAS: 231953-38-1
• Category: Fluorinated Nitriles
• Purity: 97%
• MDL Number: MFCD00236280

• 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: 2.98
• MLogP: 2.94
• SILICOS-IT: 3.25
• WLogP: 4.29
• XLogP3: 2.63
• iLogP: 1.79
• 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

• GHS Pictogram: GHS06; GHS07
• Hazard Statements: H301+H311+H331-H315-H319
• Packing Group: Ⅲ
• Precautionary Statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405