1-Allyl-2-(trifluoromethyl)benzimidazole

• Catalog: OFC139591030
• CAS: 139591-03-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 1-(prop-2-en-1-yl)-2-(trifluoromethyl)-1H-1,3-benzodiazole
• MDL Number: MFCD02102641

• IUPAC Name: 1-prop-2-enyl-2-(trifluoromethyl)benzimidazole
• InChI: InChI=1S/C11H9F3N2/c1-2-7-16-9-6-4-3-5-8(9)15-10(16)11(12,13)14/h2-6H,1,7H2
• InChI Key: PXTXEWCPYYWPCQ-UHFFFAOYSA-N
• Isomeric SMILES: C=CCN1C2=CC=CC=C2N=C1C(F)(F)F

• Molecular Formula: C11H9F3N2
• Molecular Weight: 226.20

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.07178278 g/mol
• Monoisotopic Mass: 226.07178278 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264