3-Amino-2-cyano-5-(4-fluorophenyl)thiophene

• Catalog: OFC210356631
• CAS: 210356-63-1
• Category: Fluorinated Thiophenes
• Synonyms: 3-Amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
• Purity: 95%
• MDL Number: MFCD00210132

• IUPAC Name: 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
• InChI: InChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-5-9(14)11(6-13)15-10/h1-5H,14H2
• InChI Key: TYZQYMLLLAZYPN-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=CC(=C(S2)C#N)N)F
• EC Number: 671-979-5

• Molecular Formula: C11H7FN2S
• Molecular Weight: 218.25
• Melting Point: 199-200 °C

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 218.03139757 g/mol
• Monoisotopic Mass: 218.03139757 g/mol
• Topological Polar Surface Area: 78Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 267