[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate

C154H220F64O52 — CID 159024413

About [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate

[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate (PubChem CID 159024413) has the molecular formula C154H220F64O52 and a molecular weight of 4119.27 g/mol. Its IUPAC name is [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate
• PubChem CID: 159024413
• Molecular Formula: C154H220F64O52
• Molecular Weight: 4119.27 g/mol
• Exact Mass: 4117.35
• IUPAC Name: [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C(F)(F)F)CC(C)(C)OC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1(C(F)(F)F)CCOC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1(C)CC(F)(F)OC(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)C(C)(C)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1C(F)(F)C(C)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1C(F)(F)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1CC(O)(C(F)(F)F)OCO1.CCC(C)(C)C(=O)OC1CCOC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1OCOC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCC1(C)OCOC(O)(C(F)(F)F)C1(F)F
• InChI: InChI=1S/C15H22F6O4.C15H25F3O4.C14H19F7O4.C13H17F7O4.C13H18F6O4.C13H19F5O5.C13H19F5O4.C12H15F7O4.C12H17F5O5.C12H17F5O4.C11H15F5O5.C11H17F3O5/c1-6-10(2,3)9(22)24-12(14(16,17)18)7-11(4,5)25-13(23,8-12)15(19,20)21;1-7-11(2,3)10(19)21-13(6)8-12(4,5)22-14(20,9-13)15(16,17)18;1-6-9(2,3)8(22)24-7-11(15,16)10(4,5)25-13(23,12(7,17)18)14(19,20)21;1-5-9(3,4)8(21)23-7-10(14,15)6(2)24-12(22,11(7,16)17)13(18,19)20;1-4-9(2,3)8(20)23-10(12(14,15)16)5-6-22-11(21,7-10)13(17,18)19;1-5-9(2,3)8(19)21-6-10(4)11(14,15)12(20,13(16,17)18)23-7-22-10;1-5-9(2,3)8(19)21-10(4)6-11(20,13(16,17)18)22-12(14,15)7-10;1-4-8(2,3)7(20)23-6-9(13,14)5-22-11(21,10(6,15)16)12(17,18)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)21-7-5-6-20-11(19,10(7,13)14)12(15,16)17;1-4-8(2,3)6(17)21-7-9(12,13)10(18,11(14,15)16)20-5-19-7;1-4-9(2,3)8(15)19-7-5-10(16,11(12,13)14)18-6-17-7/h23H,6-8H2,1-5H3;20H,7-9H2,1-6H3;7,23H,6H2,1-5H3;6-7,22H,5H2,1-4H3;21H,4-7H2,1-3H3;20H,5-7H2,1-4H3;20H,5-7H2,1-4H3;6,21H,4-5H2,1-3H3;19H,5-6H2,1-4H3;7,19H,4-6H2,1-3H3;7,18H,4-5H2,1-3H3;7,16H,4-6H2,1-3H3
• InChIKey: JUCNVCAMZAJSBD-UHFFFAOYSA-N
• XLogP: 36.15
• TPSA: 706.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 52
• Rotatable Bonds: 37
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4119.27
LogP ≤ 5	36.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	52

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;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-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;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate (CID 159024413) is [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-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;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-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;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(F)(F)F)CC(C)(C)OC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1(C(F)(F)F)CCOC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1(C)CC(C)(C)OC(O)(C(F)(F)F)C1.CCC(C)(C)C(=O)OC1(C)CC(F)(F)OC(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)C(C)(C)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1C(F)(F)C(C)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1C(F)(F)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1CC(O)(C(F)(F)F)OCO1.CCC(C)(C)C(=O)OC1CCOC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1OCOC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCC1(C)OCOC(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;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate?

The InChIKey is JUCNVCAMZAJSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O4.C15H25F3O4.C14H19F7O4.C13H17F7O4.C13H18F6O4.C13H19F5O5.C13H19F5O4.C12H15F7O4.C12H17F5O5.C12H17F5O4.C11H15F5O5.C11H17F3O5/c1-6-10(2,3)9(22)24-12(14(16,17)18)7-11(4,5)25-13(23,8-12)15(19,20)21;1-7-11(2,3)10(19)21-13(6)8-12(4,5)22-14(20,9-13)15(16,17)18;1-6-9(2,3)8(22)24-7-11(15,16)10(4,5)25-13(23,12(7,17)18)14(19,20)21;1-5-9(3,4)8(21)23-7-10(14,15)6(2)24-12(22,11(7,16)17)13(18,19)20;1-4-9(2,3)8(20)23-10(12(14,15)16)5-6-22-11(21,7-10)13(17,18)19;1-5-9(2,3)8(19)21-6-10(4)11(14,15)12(20,13(16,17)18)23-7-22-10;1-5-9(2,3)8(19)21-10(4)6-11(20,13(16,17)18)22-12(14,15)7-10;1-4-8(2,3)7(20)23-6-9(13,14)5-22-11(21,10(6,15)16)12(17,18)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)21-7-5-6-20-11(19,10(7,13)14)12(15,16)17;1-4-8(2,3)6(17)21-7-9(12,13)10(18,11(14,15)16)20-5-19-7;1-4-9(2,3)8(15)19-7-5-10(16,11(12,13)14)18-6-17-7/h23H,6-8H2,1-5H3;20H,7-9H2,1-6H3;7,23H,6H2,1-5H3;6-7,22H,5H2,1-4H3;21H,4-7H2,1-3H3;20H,5-7H2,1-4H3;20H,5-7H2,1-4H3;6,21H,4-5H2,1-3H3;19H,5-6H2,1-4H3;7,19H,4-6H2,1-3H3;7,18H,4-5H2,1-3H3;7,16H,4-6H2,1-3H3.

What are the key properties of [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate?

[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate has a molecular weight of 4119.27 g/mol, XLogP of 36.15, 37 rotatable bonds, 12 hydrogen bond donors, and 52 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;[5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2,2-dimethylbutanoate;[2,2-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[5,5-difluoro-6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6,6-dimethyl-2,4-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4,6,6-trimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 159024413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).