(1R,2S)-2-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}cyclopentanecarboxylic acid
[CAS# 733740-74-4]

Identification

• Name: (1R,2S)-2-{2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl}cyclopentanecarboxylic acid
• Synonyms: trans-2-[2-Oxo-2-(3-trifluoromethylphenyl)ethyl]cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₅H₁₅F₃O₃
• Molecular Weight: 300.27
• CAS Registry Number: 733740-74-4
• SMILES: O=C(O)[C@@H]2CCC[C@H]2CC(=O)c1cccc(c1)C(F)(F)F
• InChI: 1S/C15H15F3O3/c16-15(17,18)11-5-1-4-10(7-11)13(19)8-9-3-2-6-12(9)14(20)21/h1,4-5,7,9,12H,2-3,6,8H2,(H,20,21)/t9-,12+/m0/s1
• InChIKey: BCCWSJZUORSYGK-JOYOIKCWSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 394.135°C at 760 mmHg (Cal.)
• Flash point: 192.166°C (Cal.)
• Refractive index: 1.503 (Cal.)