4-(Trifluoromethyl)phenylacetylene

• Catalog: OFC705317
• CAS: 705-31-7
• Category: Fluoroalkynes
• Purity: 97%
• MDL Number: MFCD01861903

• Molecular Formula: C9H5F3
• Molecular Weight: 170.13
• Molar Refractivity: 39.38

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 2.0
• Veber: 0.0
• Consensus LogP: 3.35
• MLogP: 3.89
• SILICOS-IT: 3.45
• WLogP: 3.92
• XLogP3: 3.19
• iLogP: 2.31
• BBB Permeant: Yes
• CYP1A2 Inhibitor: No
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: Low
• LogKp: -5.07 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.11

• GHS Pictogram: GHS02
• Hazard Statements: H225
• Packing Group: Ⅱ
• Precautionary Statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235