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

• Catalog: OFC1360902211
• CAS: 1360902-21-1
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154924

• IUPAC Name: 7-fluoro-4-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4F4N2/c9-5-2-1-4(8(10,11)12)6-7(5)14-3-13-6/h1-3H,(H,13,14)
• InChI Key: BOWUPQJSZHTZKK-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1C(F)(F)F)N=CN2)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