1-(3-Chlorophenyl)-2,2,2-trifluoroethanone

• Catalog: OFC321313
• CAS: 321-31-3
• Category: Fluorinated Ketones
• Purity: 97%
• MDL Number: MFCD00461896

• Molecular Formula: C8H4ClF3O
• Molecular Weight: 208.57
• Molar Refractivity: 41.84

• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 1.0
• Veber: 0.0
• Consensus LogP: 3.2
• MLogP: 2.82
• SILICOS-IT: 3.36
• WLogP: 4.35
• XLogP3: 3.63
• iLogP: 1.87
• BBB Permeant: Yes
• CYP1A2 Inhibitor: Yes
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -4.99 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.12

• GHS Pictogram: GHS07
• Hazard Statements: H302+H312+H332-H315-H319-H335
• Precautionary Statements: P261-P280-P305+P351+P338