methyl (1S,3R,4S)-3,4-bis(fluoranyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,3R,4S)-3,4-bis(fluoranyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,3R,4S)-3,4-difluorocyclohexanecarboxylate CAS Name: (1S,3R,4S)-3,4-difluoro-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3R,4S)-3,4-difluorocyclohexane-1-carboxylate Traditional Name: (1S,3R,4S)-3,4-difluorocyclohexanecarboxylic acid methyl ester Formula: C8H12F2O2 MolecularWeight: 178.176486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(C1)F)F

Isomeric SMILES

COC(=O)[C@H]1CC[C@@H]([C@@H](C1)F)F

InChI

InChI=1S/C8H12F2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7H,2-4H2,1H3/t5-,6-,7+/m0/s1