4-Fluoro-7-(trifluoromethoxy)-1H-benzimidazole

• Catalog: OFC1805680594
• CAS: 1805680-59-4
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154935

• IUPAC Name: 4-fluoro-7-(trifluoromethoxy)-1H-benzimidazole
• InChI: InChI=1S/C8H4F4N2O/c9-4-1-2-5(15-8(10,11)12)7-6(4)13-3-14-7/h1-3H,(H,13,14)
• InChI Key: MODVMKQZGNBAHE-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1OC(F)(F)F)NC=N2)F

• 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