Ethyl 3-chloro-2-cyano-4,4,4-trifluorobut-2-enoate

• Catalog: OFC77429040
• CAS: 77429-04-0
• Category: Fluorinated Esters
• Purity: 95%
• MDL Number: MFCD17676995

• Molecular Formula: C7H5ClF3NO2
• Molecular Weight: 227.57
• Molar Refractivity: 41.31

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 0.0
• Veber: 0.0
• Consensus LogP: 2.2
• MLogP: 1.35
• SILICOS-IT: 2.06
• WLogP: 3.39
• XLogP3: 2.17
• iLogP: 2.01
• BBB Permeant: Yes
• CYP1A2 Inhibitor: No
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -6.15 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.43