5-Fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC1980035468
• CAS: 1980035-46-8
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154966

• IUPAC Name: 5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H3F7N2O/c10-3-1-2-4-5(6(3)19-9(14,15)16)18-7(17-4)8(11,12)13/h1-2H,(H,17,18)
• InChI Key: OHGIJELBVMYRLZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C(C2=C1NC(=N2)C(F)(F)F)OC(F)(F)F)F

• Molecular Formula: C9H3F7N2O
• Molecular Weight: 288.12

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 288.01335986 g/mol
• Monoisotopic Mass: 288.01335986 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 332