[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate

C207H347F39O39 — CID 158909871

About [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate

[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate (PubChem CID 158909871) has the molecular formula C207H347F39O39 and a molecular weight of 4200.94 g/mol. Its IUPAC name is [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate
• PubChem CID: 158909871
• Molecular Formula: C207H347F39O39
• Molecular Weight: 4200.94 g/mol
• Exact Mass: 4198.45
• IUPAC Name: [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C(C)C)(C(C)C)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C1CCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C12CC3CC(CC(C3)C1)C2)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CC2CCC1C2)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CCCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(C)C)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC)(CC)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC1CC2CCC1C2)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC1CCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC1CCCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1(C(C)(O)C(F)(F)F)CC2CCC1C2.CCC(C)(C)C(=O)OC1(C(C)(O)C(F)(F)F)CCCCC1.CCC(OC(=O)C(C)(C)CC)C(C)(O)C(F)(F)F
• InChI: InChI=1S/C20H31F3O3.C18H29F3O3.C17H27F3O3.C17H29F3O3.C16H25F3O3.3C16H27F3O3.C16H29F3O3.C15H25F3O3.2C14H25F3O3.C12H21F3O3/c1-5-17(2,3)16(24)26-15(18(4,25)20(21,22)23)19-9-12-6-13(10-19)8-14(7-12)11-19;1-5-16(2,3)15(22)24-14(17(4,23)18(19,20)21)10-13-9-11-6-7-12(13)8-11;1-5-15(2,3)14(21)23-13(16(4,22)17(18,19)20)12-9-10-6-7-11(12)8-10;1-5-15(2,3)14(21)23-13(16(4,22)17(18,19)20)11-12-9-7-6-8-10-12;1-5-13(2,3)12(20)22-15(14(4,21)16(17,18)19)9-10-6-7-11(15)8-10;1-6-13(2,3)12(20)22-14(4,11-9-7-8-10-11)15(5,21)16(17,18)19;1-5-14(2,3)13(20)22-12(10-11-8-6-7-9-11)15(4,21)16(17,18)19;1-5-14(2,3)13(20)22-12(11-9-7-6-8-10-11)15(4,21)16(17,18)19;1-9-13(6,7)12(20)22-15(10(2)3,11(4)5)14(8,21)16(17,18)19;1-5-12(2,3)11(19)21-14(9-7-6-8-10-14)13(4,20)15(16,17)18;1-7-12(4,5)11(18)20-10(8-9(2)3)13(6,19)14(15,16)17;1-7-11(4,5)10(18)20-13(8-2,9-3)12(6,19)14(15,16)17;1-6-8(11(5,17)12(13,14)15)18-9(16)10(3,4)7-2/h12-15,25H,5-11H2,1-4H3;11-14,23H,5-10H2,1-4H3;10-13,22H,5-9H2,1-4H3;12-13,22H,5-11H2,1-4H3;10-11,21H,5-9H2,1-4H3;11,21H,6-10H2,1-5H3;2*11-12,21H,5-10H2,1-4H3;10-11,21H,9H2,1-8H3;20H,5-10H2,1-4H3;9-10,19H,7-8H2,1-6H3;19H,7-9H2,1-6H3;8,17H,6-7H2,1-5H3
• InChIKey: JGMVOEFPFGYOFJ-UHFFFAOYSA-N
• XLogP: 53.46
• TPSA: 604.89 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 69
• Heavy Atoms: 285
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4200.94
LogP ≤ 5	53.46
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate?

The IUPAC name of [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate (CID 158909871) is [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate?

The canonical SMILES for [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C(C)C)(C(C)C)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C1CCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C12CC3CC(CC(C3)C1)C2)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CC2CCC1C2)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CCCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(C)C)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC)(CC)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC1CC2CCC1C2)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC1CCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC1CCCCC1)C(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1(C(C)(O)C(F)(F)F)CC2CCC1C2.CCC(C)(C)C(=O)OC1(C(C)(O)C(F)(F)F)CCCCC1.CCC(OC(=O)C(C)(C)CC)C(C)(O)C(F)(F)F.

What is the InChIKey of [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate?

The InChIKey is JGMVOEFPFGYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3O3.C18H29F3O3.C17H27F3O3.C17H29F3O3.C16H25F3O3.3C16H27F3O3.C16H29F3O3.C15H25F3O3.2C14H25F3O3.C12H21F3O3/c1-5-17(2,3)16(24)26-15(18(4,25)20(21,22)23)19-9-12-6-13(10-19)8-14(7-12)11-19;1-5-16(2,3)15(22)24-14(17(4,23)18(19,20)21)10-13-9-11-6-7-12(13)8-11;1-5-15(2,3)14(21)23-13(16(4,22)17(18,19)20)12-9-10-6-7-11(12)8-10;1-5-15(2,3)14(21)23-13(16(4,22)17(18,19)20)11-12-9-7-6-8-10-12;1-5-13(2,3)12(20)22-15(14(4,21)16(17,18)19)9-10-6-7-11(15)8-10;1-6-13(2,3)12(20)22-14(4,11-9-7-8-10-11)15(5,21)16(17,18)19;1-5-14(2,3)13(20)22-12(10-11-8-6-7-9-11)15(4,21)16(17,18)19;1-5-14(2,3)13(20)22-12(11-9-7-6-8-10-11)15(4,21)16(17,18)19;1-9-13(6,7)12(20)22-15(10(2)3,11(4)5)14(8,21)16(17,18)19;1-5-12(2,3)11(19)21-14(9-7-6-8-10-14)13(4,20)15(16,17)18;1-7-12(4,5)11(18)20-10(8-9(2)3)13(6,19)14(15,16)17;1-7-11(4,5)10(18)20-13(8-2,9-3)12(6,19)14(15,16)17;1-6-8(11(5,17)12(13,14)15)18-9(16)10(3,4)7-2/h12-15,25H,5-11H2,1-4H3;11-14,23H,5-10H2,1-4H3;10-13,22H,5-9H2,1-4H3;12-13,22H,5-11H2,1-4H3;10-11,21H,5-9H2,1-4H3;11,21H,6-10H2,1-5H3;2*11-12,21H,5-10H2,1-4H3;10-11,21H,9H2,1-8H3;20H,5-10H2,1-4H3;9-10,19H,7-8H2,1-6H3;19H,7-9H2,1-6H3;8,17H,6-7H2,1-5H3.

What are the key properties of [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate?

[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate has a molecular weight of 4200.94 g/mol, XLogP of 53.46, 69 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2,2-dimethylbutanoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(1-cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2,2-dimethylbutanoate;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2,2-dimethylbutanoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158909871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).