6-Fluoro-2-methyl-1-propyl-1H-indole-3-carbonitrile

• Catalog: OFC922184632
• CAS: 922184-63-2
• Category: Fluorinated Indoles
• Synonyms: 1-Propyl-2-methyl-6-fluoro-1H-indole-3-carbonitrile
• Purity: 97%

• IUPAC Name: 6-fluoro-2-methyl-1-propylindole-3-carbonitrile
• InChI: InChI=1S/C13H13FN2/c1-3-6-16-9(2)12(8-15)11-5-4-10(14)7-13(11)16/h4-5,7H,3,6H2,1-2H3
• InChI Key: FXGVQVJOBGTMSF-UHFFFAOYSA-N
• Isomeric SMILES: CCCN1C(=C(C2=C1C=C(C=C2)F)C#N)C

• Molecular Formula: C13H13FN2
• Molecular Weight: 216.26

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 216.10627659 g/mol
• Monoisotopic Mass: 216.10627659 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 296