Methyl 3-{2-[2-(ethoxycarbonyl)-4,4,4-trifluoro-3-oxobut-1-enyl]hydrazino}-4-methylthiophene-2-carboxylate

• Catalog: OFC680211023-1
• CAS: 680211-02-3
• Category: Fluorinated Thiophenes
• Synonyms: 2-Thiophenecarboxylic acid, 3-[2-[2-(ethoxycarbonyl)-4,4,4-trifluoro-3-oxo-1-buten-1-yl]hydrazinyl]-4-methyl-, methyl ester
• MDL Number: MFCD09998114

• IUPAC Name: methyl 3-[(2E)-2-[(E)-2-ethoxycarbonyl-4,4,4-trifluoro-3-hydroxybut-2-enylidene]hydrazinyl]-4-methylthiophene-2-carboxylate
• InChI: InChI=1S/C14H15F3N2O5S/c1-4-24-12(21)8(11(20)14(15,16)17)5-18-19-9-7(2)6-25-10(9)13(22)23-3/h5-6,19-20H,4H2,1-3H3/b11-8+,18-5+
• InChI Key: MPSBMDUCJJQRBB-NWYCUQECSA-N
• Isomeric SMILES: CCOC(=O)/C(=C(\C(F)(F)F)/O)/C=N/NC1=C(SC=C1C)C(=O)OC

• Molecular Formula: C14H15F3N2O5S
• Molecular Weight: 380.34

• XLogP3-AA: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 380.06537724 g/mol
• Monoisotopic Mass: 380.06537724 g/mol
• Topological Polar Surface Area: 126Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 565