3-(4-Fluorophenyl)-3-[(2,2,2-Trifluoroacetyl)Amino]Propanoic Acid
[CAS# 117291-16-4]

Identification

• Name: 3-(4-Fluorophenyl)-3-[(2,2,2-Trifluoroacetyl)Amino]Propanoic Acid
• Synonyms: (3S)-3-(4-Fluorophenyl)-3-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Propanoate; (3S)-3-(4-Fluorophenyl)-3-[(2,2,2-Trifluoroacetyl)Amino]Propionate; (3S)-3-(4-Fluorophenyl)-3-(2,2,2-Trifluoroethanoylamino)Propanoate
• Molecular Formula: C₁₁H₈F₄NO₃
• Molecular Weight: 278.18
• CAS Registry Number: 117291-16-4
• SMILES: [C@@H](NC(=O)C(F)(F)F)(C1=CC=C(F)C=C1)CC([O-])=O
• InChI: 1S/C11H9F4NO3/c12-7-3-1-6(2-4-7)8(5-9(17)18)16-10(19)11(13,14)15/h1-4,8H,5H2,(H,16,19)(H,17,18)/p-1/t8-/m0/s1
• InChIKey: NPQRPZRZZQVZIJ-QMMMGPOBSA-M

Properties

• Boiling point: 393.544°C at 760 mmHg (Cal.)
• Flash point: 191.809°C (Cal.)