4-[3,4-bis(fluoranyl)phenyl]-1-(4-pentylcyclohexyl)but-3-yn-2-ol

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-1-(4-pentylcyclohexyl)but-3-yn-2-ol Openeye Name: 4-(3,4-difluorophenyl)-1-(4-pentylcyclohexyl)but-3-yn-2-ol CAS Name: 4-(3,4-difluorophenyl)-1-(4-pentylcyclohexyl)-3-butyn-2-ol IUPAC Name: 4-(3,4-difluorophenyl)-1-(4-pentylcyclohexyl)but-3-yn-2-ol Traditional Name: 1-(4-amylcyclohexyl)-4-(3,4-difluorophenyl)but-3-yn-2-ol Formula: C21H28F2O MolecularWeight: 334.443226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CC(C#CC2=CC(=C(C=C2)F)F)O

Isomeric SMILES

CCCCCC1CCC(CC1)CC(C#CC2=CC(=C(C=C2)F)F)O

InChI

InChI=1S/C21H28F2O/c1-2-3-4-5-16-6-8-17(9-7-16)14-19(24)12-10-18-11-13-20(22)21(23)15-18/h11,13,15-17,19,24H,2-9,14H2,1H3