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

C166H229F77O55 — CID 90782348

About [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate (PubChem CID 90782348) has the molecular formula C166H229F77O55 and a molecular weight of 4567.45 g/mol. Its IUPAC name is [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate
• PubChem CID: 90782348
• Molecular Formula: C166H229F77O55
• Molecular Weight: 4567.45 g/mol
• Exact Mass: 4565.39
• IUPAC Name: [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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(F)(F)F)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(F)(F)F)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)CCOC(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(F)(F)F)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1C(F)(F)C(C)(C(F)(F)F)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.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
• InChI: InChI=1S/C15H19F9O4.C15H22F6O4.C14H16F10O4.C13H14F10O4.C13H18F6O4.C13H19F5O4.C13H21F3O4.C12H15F7O4.C12H17F5O5.C12H17F5O4.C12H19F3O4.C11H15F5O5.C11H17F3O5/c1-5-9(2,3)8(25)27-11(14(19,20)21)6-10(4,13(16,17)18)28-12(26,7-11)15(22,23)24;1-6-10(2,3)9(22)24-11(4)7-12(5,14(16,17)18)25-13(23,8-11)15(19,20)21;1-5-8(2,3)7(25)27-6-10(15,16)9(4,13(19,20)21)28-12(26,11(6,17)18)14(22,23)24;1-4-8(2,3)7(24)26-5-9(14,15)6(11(18,19)20)27-12(25,10(5,16)17)13(21,22)23;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)21-10(4)6-11(20,13(16,17)18)22-12(14,15)7-10;1-5-10(2,3)9(17)20-11(4)6-7-19-12(18,8-11)13(14,15)16;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;1-4-10(2,3)9(16)19-8-5-6-18-11(17,7-8)12(13,14)15;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/h26H,5-7H2,1-4H3;23H,6-8H2,1-5H3;6,26H,5H2,1-4H3;5-6,25H,4H2,1-3H3;21H,4-7H2,1-3H3;20H,5-7H2,1-4H3;18H,5-8H2,1-4H3;6,21H,4-5H2,1-3H3;19H,5-6H2,1-4H3;7,19H,4-6H2,1-3H3;8,17H,4-7H2,1-3H3;7,18H,4-5H2,1-3H3;7,16H,4-6H2,1-3H3
• InChIKey: KHQOMCYKESEMAX-UHFFFAOYSA-N
• XLogP: 40.89
• TPSA: 752.57 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 55
• Rotatable Bonds: 39
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4567.45
LogP ≤ 5	40.89
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	55

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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate (CID 90782348) is [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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(F)(F)F)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(F)(F)F)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)CCOC(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(F)(F)F)OC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OC1C(F)(F)C(C)(C(F)(F)F)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.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.

What is the InChIKey of [5,5-difluoro-6-hydroxy-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl] 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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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 KHQOMCYKESEMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F9O4.C15H22F6O4.C14H16F10O4.C13H14F10O4.C13H18F6O4.C13H19F5O4.C13H21F3O4.C12H15F7O4.C12H17F5O5.C12H17F5O4.C12H19F3O4.C11H15F5O5.C11H17F3O5/c1-5-9(2,3)8(25)27-11(14(19,20)21)6-10(4,13(16,17)18)28-12(26,7-11)15(22,23)24;1-6-10(2,3)9(22)24-11(4)7-12(5,14(16,17)18)25-13(23,8-11)15(19,20)21;1-5-8(2,3)7(25)27-6-10(15,16)9(4,13(19,20)21)28-12(26,11(6,17)18)14(22,23)24;1-4-8(2,3)7(24)26-5-9(14,15)6(11(18,19)20)27-12(25,10(5,16)17)13(21,22)23;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)21-10(4)6-11(20,13(16,17)18)22-12(14,15)7-10;1-5-10(2,3)9(17)20-11(4)6-7-19-12(18,8-11)13(14,15)16;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;1-4-10(2,3)9(16)19-8-5-6-18-11(17,7-8)12(13,14)15;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/h26H,5-7H2,1-4H3;23H,6-8H2,1-5H3;6,26H,5H2,1-4H3;5-6,25H,4H2,1-3H3;21H,4-7H2,1-3H3;20H,5-7H2,1-4H3;18H,5-8H2,1-4H3;6,21H,4-5H2,1-3H3;19H,5-6H2,1-4H3;7,19H,4-6H2,1-3H3;8,17H,4-7H2,1-3H3;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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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 4567.45 g/mol, XLogP of 40.89, 39 rotatable bonds, 13 hydrogen bond donors, and 55 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;[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-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-4-methyl-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-6-methyl-2,4,6-tris(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[6-hydroxy-6-(trifluoromethyl)-1,3-dioxan-4-yl] 2,2-dimethylbutanoate;[2-hydroxy-2-(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-2,6-bis(trifluoromethyl)oxan-4-yl] 2,2-dimethylbutanoate;[3,3,5,5-tetrafluoro-2-hydroxy-6-methyl-2,6-bis(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 90782348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).