5-(4-Fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxamide

• Catalog: OFC648410188
• CAS: 648410-18-8
• Category: Fluorinated Thiophenes
• Synonyms: 5-(4-fluorophenyl)-3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxamide
• MDL Number: MFCD00106572

• IUPAC Name: 5-(4-fluorophenyl)-3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxamide
• InChI: InChI=1S/C14H8Cl3FN2O2S/c15-10(12(16)17)14(22)20-8-5-9(23-11(8)13(19)21)6-1-3-7(18)4-2-6/h1-5H,(H2,19,21)(H,20,22)
• InChI Key: MZGRFVSMCIHHAG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=CC(=C(S2)C(=O)N)NC(=O)C(=C(Cl)Cl)Cl)F

• Molecular Formula: C14H8Cl3FN2O2S
• Molecular Weight: 393.65

• XLogP3-AA: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 391.935610 g/mol
• Monoisotopic Mass: 391.935610 g/mol
• Topological Polar Surface Area: 100Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 508