4,4,4-Trifluoro-2-[(4-fluoroanilino)methylidene]-1-(2-thienyl)butane-1,3-dione

• Catalog: OFC332055706
• CAS: 332055-70-6
• Category: Fluorinated Thiophenes
• Synonyms: (E)-1,1,1-trifluoro-3-[(4-fluorophenyl)iminomethyl]-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
• MDL Number: MFCD00113066

• IUPAC Name: (E)-1,1,1-trifluoro-3-[(4-fluorophenyl)iminomethyl]-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
• InChI: InChI=1S/C15H9F4NO2S/c16-9-3-5-10(6-4-9)20-8-11(14(22)15(17,18)19)13(21)12-2-1-7-23-12/h1-8,21H/b13-11+,20-8?
• InChI Key: NASXDAKFQGHORG-RFSUNTFKSA-N
• Isomeric SMILES: C1=CSC(=C1)/C(=C(/C=NC2=CC=C(C=C2)F)\C(=O)C(F)(F)F)/O

• Molecular Formula: C15H9F4NO2S
• Molecular Weight: 343.30

• XLogP3-AA: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 343.02901235 g/mol
• Monoisotopic Mass: 343.02901235 g/mol
• Topological Polar Surface Area: 77.9Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 496