(2S)-3-fluoranyl-2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: (2S)-3-fluoranyl-2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: (2S)-3-fluoro-2-(4-isobutylphenyl)propanoic acid CAS Name: (2S)-3-fluoro-2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: (2S)-3-fluoro-2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: (2S)-3-fluoro-2-(4-isobutylphenyl)propionic acid Formula: C13H17FO2 MolecularWeight: 224.271283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CF)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@H](CF)C(=O)O

InChI

InChI=1S/C13H17FO2/c1-9(2)7-10-3-5-11(6-4-10)12(8-14)13(15)16/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)/t12-/m0/s1