About [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate (PubChem CID 157355303) has the molecular formula C140H239F51O40
and a molecular weight of 3531.31 g/mol. Its IUPAC name is [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate.
Frequently Asked Questions
What is the IUPAC name of [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?
The IUPAC name of [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate (CID 157355303) is [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC1(C)C(F)(F)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1(C)COC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1(C)OCOC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1C(F)(F)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1COC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCC1COC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?
The InChIKey is BHZYDHFOBAIREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O3.2C13H19F5O4.C12H15F7O4.C12H17F5O5.C12H17F5O4.C12H19F3O4.C11H13F7O4.C11H15F5O4.C11H17F3O4.15CH4/c1-6-14(2,3)13(25)27-16(5,18(22,23)24)12-9-7-11(8-10-12)15(4,26)17(19,20)21;2*1-5-9(2,3)8(19)21-6-10(4)7-22-12(20,11(10,14)15)13(16,17)18;1-5-7(2,3)6(20)22-8(4)9(13,14)10(21,11(15,16)17)23-12(8,18)19;1-5-8(2,3)7(18)22-9(4)10(13,14)11(19,12(15,16)17)21-6-20-9;1-4-9(2,3)8(18)20-5-7-6-21-11(19,10(7,13)14)12(15,16)17;1-5-9(2,3)8(16)19-10(4)6-11(17,18-7-10)12(13,14)15;1-4-7(2,3)6(19)21-5-8(12,13)10(20,11(16,17)18)22-9(5,14)15;1-4-8(2,3)7(17)20-6-5-19-10(18,9(6,12)13)11(14,15)16;1-4-9(2,3)8(15)18-7-5-10(16,17-6-7)11(12,13)14;;;;;;;;;;;;;;;/h11-12,26H,6-10H2,1-5H3;2*20H,5-7H2,1-4H3;21H,5H2,1-4H3;19H,5-6H2,1-4H3;7,19H,4-6H2,1-3H3;17H,5-7H2,1-4H3;5,20H,4H2,1-3H3;6,18H,4-5H2,1-3H3;7,16H,4-6H2,1-3H3;15*1H4.
What are the key properties of [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?
[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate has a molecular weight of 3531.31 g/mol, XLogP of 38.53, 35 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate;[5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;methane;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 157355303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).