(2R,4R)-4-(3-fluoranyl-2-methoxy-phenyl)-2-oxidanyl-2-(trifluoromethyl)pentanal

Systemtic Name: (2R,4R)-4-(3-fluoranyl-2-methoxy-phenyl)-2-oxidanyl-2-(trifluoromethyl)pentanal Openeye Name: (2R,4R)-4-(3-fluoro-2-methoxy-phenyl)-2-hydroxy-2-(trifluoromethyl)pentanal CAS Name: (2R,4R)-4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal IUPAC Name: (2R,4R)-4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal Traditional Name: (2R,4R)-4-(3-fluoro-2-methoxy-phenyl)-2-hydroxy-2-(trifluoromethyl)valeraldehyde Formula: C13H14F4O3 MolecularWeight: 294.242073

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C=O)(C(F)(F)F)O)C1=C(C(=CC=C1)F)OC

Isomeric SMILES

C[C@H](C[C@@](C=O)(C(F)(F)F)O)C1=C(C(=CC=C1)F)OC

InChI

InChI=1S/C13H14F4O3/c1-8(6-12(19,7-18)13(15,16)17)9-4-3-5-10(14)11(9)20-2/h3-5,7-8,19H,6H2,1-2H3/t8-,12-/m1/s1