About 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate
3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate (PubChem CID 157084270) has the molecular formula C209H411F21O27
and a molecular weight of 3755.52 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate.
Frequently Asked Questions
What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate (CID 157084270) is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C(C)C)C(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(CC(C)C)CC(C)C.CCC(C)(C)C(=O)OC(CCC(C)C)CCC(C)C.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CCC(C)(C)C(=O)OCC(C)CC(C)(C)C.CCC(C)c1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(CC)C(OC(=O)C(C)(C)CC)C(CC)CC.CCCCC(CC)COC(=O)C(C)(C)CC.CCCCCCC(CC)OC(=O)C(C)(C)CC.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate?
The InChIKey is ADXHOZMGKSANHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O4.2C17H34O2.C16H20F6O2.2C15H30O2.2C14H28O2.C13H21F3O.C13H17F3O.C13H26O2.C11H17F3O.C10H20O2.C7H14O2.16CH4/c1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-8-17(6,7)16(18)19-15(11-9-13(2)3)12-10-14(4)5;1-8-13(9-2)15(14(10-3)11-4)19-16(18)17(6,7)12-5;1-5-9(2)10-6-11(13(3,23)15(17,18)19)8-12(7-10)14(4,24)16(20,21)22;1-8-15(6,7)14(16)17-13(9-11(2)3)10-12(4)5;1-6-9-10-11-12-13(7-2)17-14(16)15(4,5)8-3;1-8-14(6,7)12(15)16-10-11(2)9-13(3,4)5;1-6-9-10-12(7-2)11-16-13(15)14(4,5)8-3;1-7-8(2)11-5-9(7)4-10(11)6-12(3,17)13(14,15)16;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-8-13(6,7)12(14)15-11(9(2)3)10(4)5;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-7-10(5,6)8(11)12-9(2,3)4;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;/h10-12,26-27H,6-9H2,1-5H3;2*13-15H,8-12H2,1-7H3;6-9,23-24H,5H2,1-4H3;11-13H,8-10H2,1-7H3;13H,6-12H2,1-5H3;11H,8-10H2,1-7H3;12H,6-11H2,1-5H3;7-11,17H,4-6H2,1-3H3;5-9,17H,4H2,1-3H3;9-11H,8H2,1-7H3;7-9,15H,2-6H2,1H3;7H2,1-6H3;5H2,1-4H3;16*1H4.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate?
3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate has a molecular weight of 3755.52 g/mol, XLogP of 65.79, 72 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;tert-butyl 2,2-dimethylbutanoate;3,5-diethylheptan-4-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,6-dimethylheptan-4-yl 2,2-dimethylbutanoate;2,8-dimethylnonan-5-yl 2,2-dimethylbutanoate;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate;2,4,4-trimethylpentyl 2,2-dimethylbutanoate is sourced from PubChem (CID 157084270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).