4-[4-[(2S)-butan-2-yl]phenyl]-4,4-bis(fluoranyl)butanoate

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]-4,4-bis(fluoranyl)butanoate Openeye Name: 4,4-difluoro-4-[4-[(1S)-1-methylpropyl]phenyl]butanoate CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]-4,4-difluorobutanoate IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]-4,4-difluorobutanoate Traditional Name: 4,4-difluoro-4-[4-[(1S)-1-methylpropyl]phenyl]butyrate Formula: C14H17F2O2- MolecularWeight: 255.280386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CCC(=O)[O-])(F)F

Isomeric SMILES

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

InChI

InChI=1S/C14H18F2O2/c1-3-10(2)11-4-6-12(7-5-11)14(15,16)9-8-13(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1