2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate

C107H145F14O26-7 — CID 158048343

About 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate

2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate (PubChem CID 158048343) has the molecular formula C107H145F14O26-7 and a molecular weight of 2113.28 g/mol. Its IUPAC name is 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate.

Molecular Properties

• Compound Name: 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate
• PubChem CID: 158048343
• Molecular Formula: C107H145F14O26-7
• Molecular Weight: 2113.28 g/mol
• Exact Mass: 2111.98
• IUPAC Name: 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate
• SMILES: CC(C)(C)C(=O)OC(C1C2CC3CC(C2)CC1C3)C(F)(F)C(=O)[O-].CC(C)(C)C(=O)OC(C1CC2CCC1C2)C(F)(F)C(=O)[O-].CC(C)(C)C(=O)OC1(C(F)(F)C(=O)[O-])C2CC3CC(C2)CC1C3.CC(C)(C)C(=O)OC1(C(F)(F)C(=O)[O-])CCCCC1.O=C(OC1(C(F)(F)C(=O)[O-])CCCCC1)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(F)(F)C(O)C1C2CC3CC(C2)CC1C3.O=C([O-])C(F)(F)C1(O)C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C19H26F2O4.C18H26F2O4.C17H24F2O4.C15H22F2O4.C13H20F2O4.C13H18F2O3.C12H16F2O3/c20-19(21,15(22)23)18(4-2-1-3-5-18)25-16(24)17-9-12-6-13(10-17)8-14(7-12)11-17;1-17(2,3)16(23)24-14(18(19,20)15(21)22)13-11-5-9-4-10(7-11)8-12(13)6-9;1-15(2,3)14(22)23-16(17(18,19)13(20)21)11-5-9-4-10(7-11)8-12(16)6-9;1-14(2,3)13(20)21-11(15(16,17)12(18)19)10-7-8-4-5-9(10)6-8;1-11(2,3)10(18)19-12(7-5-4-6-8-12)13(14,15)9(16)17;14-13(15,12(17)18)11(16)10-8-2-6-1-7(4-8)5-9(10)3-6;13-12(14,10(15)16)11(17)8-2-6-1-7(4-8)5-9(11)3-6/h12-14H,1-11H2,(H,22,23);9-14H,4-8H2,1-3H3,(H,21,22);9-12H,4-8H2,1-3H3,(H,20,21);8-11H,4-7H2,1-3H3,(H,18,19);4-8H2,1-3H3,(H,16,17);6-11,16H,1-5H2,(H,17,18);6-9,17H,1-5H2,(H,15,16)/p-7
• InChIKey: FJEJBHWLXCUNIX-UHFFFAOYSA-G
• XLogP: 12.18
• TPSA: 452.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.28
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate?

The IUPAC name of 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate (CID 158048343) is 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate.

What is the SMILES notation for 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate?

The canonical SMILES for 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate is CC(C)(C)C(=O)OC(C1C2CC3CC(C2)CC1C3)C(F)(F)C(=O)[O-].CC(C)(C)C(=O)OC(C1CC2CCC1C2)C(F)(F)C(=O)[O-].CC(C)(C)C(=O)OC1(C(F)(F)C(=O)[O-])C2CC3CC(C2)CC1C3.CC(C)(C)C(=O)OC1(C(F)(F)C(=O)[O-])CCCCC1.O=C(OC1(C(F)(F)C(=O)[O-])CCCCC1)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(F)(F)C(O)C1C2CC3CC(C2)CC1C3.O=C([O-])C(F)(F)C1(O)C2CC3CC(C2)CC1C3.

What is the InChIKey of 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate?

The InChIKey is FJEJBHWLXCUNIX-UHFFFAOYSA-G. The full InChI is InChI=1S/C19H26F2O4.C18H26F2O4.C17H24F2O4.C15H22F2O4.C13H20F2O4.C13H18F2O3.C12H16F2O3/c20-19(21,15(22)23)18(4-2-1-3-5-18)25-16(24)17-9-12-6-13(10-17)8-14(7-12)11-17;1-17(2,3)16(23)24-14(18(19,20)15(21)22)13-11-5-9-4-10(7-11)8-12(13)6-9;1-15(2,3)14(22)23-16(17(18,19)13(20)21)11-5-9-4-10(7-11)8-12(16)6-9;1-14(2,3)13(20)21-11(15(16,17)12(18)19)10-7-8-4-5-9(10)6-8;1-11(2,3)10(18)19-12(7-5-4-6-8-12)13(14,15)9(16)17;14-13(15,12(17)18)11(16)10-8-2-6-1-7(4-8)5-9(10)3-6;13-12(14,10(15)16)11(17)8-2-6-1-7(4-8)5-9(11)3-6/h12-14H,1-11H2,(H,22,23);9-14H,4-8H2,1-3H3,(H,21,22);9-12H,4-8H2,1-3H3,(H,20,21);8-11H,4-7H2,1-3H3,(H,18,19);4-8H2,1-3H3,(H,16,17);6-11,16H,1-5H2,(H,17,18);6-9,17H,1-5H2,(H,15,16)/p-7.

What are the key properties of 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate?

2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate has a molecular weight of 2113.28 g/mol, XLogP of 12.18, 23 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(adamantane-1-carbonyloxy)cyclohexyl]-2,2-difluoroacetate;3-(2-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-(2-adamantyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;3-(2-bicyclo[2.2.1]heptanyl)-3-(2,2-dimethylpropanoyloxy)-2,2-difluoropropanoate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;2-[2-(2,2-dimethylpropanoyloxy)-2-adamantyl]-2,2-difluoroacetate;2-[1-(2,2-dimethylpropanoyloxy)cyclohexyl]-2,2-difluoroacetate is sourced from PubChem (CID 158048343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).