2-[(Dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione

• Catalog: OFC647824564
• CAS: 647824-56-4
• Category: Fluorinated Thiophenes
• Synonyms: (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
• MDL Number: MFCD00120342

• IUPAC Name: (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
• InChI: InChI=1S/C11H10F3NO2S/c1-15(2)6-7(10(17)11(12,13)14)9(16)8-4-3-5-18-8/h3-6H,1-2H3/b7-6-
• InChI Key: HMKYPMUUZCJODN-SREVYHEPSA-N
• Isomeric SMILES: CN(C)/C=C(/C(=O)C1=CC=CS1)\C(=O)C(F)(F)F

• Molecular Formula: C11H10F3NO2S
• Molecular Weight: 277.26

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 277.03843422 g/mol
• Monoisotopic Mass: 277.03843422 g/mol
• Topological Polar Surface Area: 65.6Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 377