4-Fluoro-6-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC1360891344
• CAS: 1360891-34-4
• Category: Fluorinated Benzimidazoles
• Synonyms: 7-Fluoro-5-trifluoromethyl-1H-benzimidazole
• MDL Number: MFCD28154923

• IUPAC Name: 4-fluoro-6-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4F4N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
• InChI Key: DYJJOZIDJMWEAB-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC=N2)F)C(F)(F)F

• Molecular Formula: C8H4F4N2
• Molecular Weight: 204.12

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 204.03106078 g/mol
• Monoisotopic Mass: 204.03106078 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218