About [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate
[1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate (PubChem CID 157252150) has the molecular formula C159H213F31O28
and a molecular weight of 3161.36 g/mol. Its IUPAC name is [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate.
Frequently Asked Questions
What is the IUPAC name of [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate (CID 157252150) is [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C(C)C)(C(C)C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C12CC3CC(CC(C3)C1)C2)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC(C)C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC12CC3CC(CC(C3)C1)C2)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC1C2CC3CC(C2)CC1C3)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC1CC2CCC1C2)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC1CCCC1)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC1CCCCC1)C(C)(O)C(F)(F)F.C=Cc1c(F)cc(O)cc1F.C=Cc1cc(F)c(O)cc1F.C=Cc1ccc(O)c(F)c1.C=Cc1ccc(O)c(F)c1F.
What is the InChIKey of [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate?
The InChIKey is AWLTWAUMEYNWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H27F3O3.C18H25F3O3.C16H23F3O3.C15H23F3O3.C14H21F3O3.C14H23F3O3.C12H19F3O3.3C8H6F2O.C8H7FO/c1-11(2)16(23)25-15(17(3,24)19(20,21)22)10-18-7-12-4-13(8-18)6-14(5-12)9-18;1-10(2)17(23)25-16(18(3,24)19(20,21)22)9-15-13-5-11-4-12(7-13)8-14(15)6-11;1-10(2)14(22)24-15(16(3,23)18(19,20)21)17-7-11-4-12(8-17)6-13(5-11)9-17;1-9(2)14(20)22-13(15(3,21)16(17,18)19)8-12-7-10-4-5-11(12)6-10;1-10(2)13(19)21-12(14(3,20)15(16,17)18)9-11-7-5-4-6-8-11;1-9(2)12(18)20-11(8-10-6-4-5-7-10)13(3,19)14(15,16)17;1-8(2)11(18)20-13(9(3)4,10(5)6)12(7,19)14(15,16)17;1-7(2)6-9(18-10(16)8(3)4)11(5,17)12(13,14)15;1-2-6-7(9)3-5(11)4-8(6)10;1-2-5-3-7(10)8(11)4-6(5)9;1-2-5-3-4-6(11)8(10)7(5)9;1-2-6-3-4-8(10)7(9)5-6/h12-15,24H,1,4-10H2,2-3H3;11-16,24H,1,4-9H2,2-3H3;11-13,15,23H,1,4-9H2,2-3H3;10-13,21H,1,4-8H2,2-3H3;11-12,20H,1,4-9H2,2-3H3;10-11,19H,1,4-8H2,2-3H3;9-10,19H,1H2,2-7H3;7,9,17H,3,6H2,1-2,4-5H3;3*2-4,11H,1H2;2-5,10H,1H2.
What are the key properties of [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate?
[1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate has a molecular weight of 3161.36 g/mol, XLogP of 38.81, 43 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 157252150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).