1-Ethynyl-4-(trifluoromethoxy)benzene

• Catalog: OFC160542029
• CAS: 160542-02-9
• Category: Fluoroalkynes
• Purity: 98%
• MDL Number: MFCD03094333

• Molecular Formula: C9H5F3O
• Molecular Weight: 186.13
• Molar Refractivity: 41.06

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 2.0
• Veber: 0.0
• Consensus LogP: 3.1
• MLogP: 2.82
• SILICOS-IT: 3.0
• WLogP: 3.91
• XLogP3: 3.35
• iLogP: 2.43
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.06 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.11

• GHS Pictogram: GHS02; GHS07; GHS09
• Hazard Statements: H225-H302-H317-H319-H411
• Packing Group: Ⅲ
• Precautionary Statements: P280-P273-P305+P351+P338