5-Fluoro-2,4-bis(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC1980086790
• CAS: 1980086-79-0
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154950

• IUPAC Name: 5-fluoro-2,4-bis(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H3F7N2/c10-3-1-2-4-6(5(3)8(11,12)13)18-7(17-4)9(14,15)16/h1-2H,(H,17,18)
• InChI Key: TUZWYKBGECUTOW-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C(C2=C1NC(=N2)C(F)(F)F)C(F)(F)F)F

• Molecular Formula: C9H3F7N2
• Molecular Weight: 272.12

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 272.01844524 g/mol
• Monoisotopic Mass: 272.01844524 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 313