(E)-1-[(1S,2R,6S)-2-fluoranyl-6-methyl-cyclohexyl]but-2-en-1-one

Systemtic Name: (E)-1-[(1S,2R,6S)-2-fluoranyl-6-methyl-cyclohexyl]but-2-en-1-one Openeye Name: (E)-1-[(1S,2R,6S)-2-fluoro-6-methyl-cyclohexyl]but-2-en-1-one CAS Name: (E)-1-[(1S,2R,6S)-2-fluoro-6-methylcyclohexyl]-2-buten-1-one IUPAC Name: (E)-1-[(1S,2R,6S)-2-fluoro-6-methylcyclohexyl]but-2-en-1-one Traditional Name: (E)-1-[(1S,2R,6S)-2-fluoro-6-methyl-cyclohexyl]but-2-en-1-one Formula: C11H17FO MolecularWeight: 184.250483

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1C(CCCC1F)C

Isomeric SMILES

C/C=C/C(=O)[C@@H]1[C@H](CCC[C@H]1F)C

InChI

InChI=1S/C11H17FO/c1-3-5-10(13)11-8(2)6-4-7-9(11)12/h3,5,8-9,11H,4,6-7H2,1-2H3/b5-3+/t8-,9+,11+/m0/s1