5-Fluoro-6-(trifluoromethoxy)-1H-benzimidazole

• Catalog: OFC1803901101
• CAS: 1803901-10-1
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28096554

• IUPAC Name: 6-fluoro-5-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H4F4N2O/c9-4-1-5-6(14-3-13-5)2-7(4)15-8(10,11)12/h1-3H,(H,13,14)
• InChI Key: UCHNUQVWOUZBAT-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1F)OC(F)(F)F)N=CN2

• Molecular Formula: C8H4F4N2O
• Molecular Weight: 220.12

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 220.02597540 g/mol
• Monoisotopic Mass: 220.02597540 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235