[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate

C123H178F16O44 — CID 162246121

About [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate

[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate (PubChem CID 162246121) has the molecular formula C123H178F16O44 and a molecular weight of 2664.70 g/mol. Its IUPAC name is [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate.

Molecular Properties

• Compound Name: [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
• PubChem CID: 162246121
• Molecular Formula: C123H178F16O44
• Molecular Weight: 2664.70 g/mol
• Exact Mass: 2663.14
• IUPAC Name: [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
• SMILES: C.C.C.C.C.C.C.C.CC(C)(C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2)C(F)(F)F.CC(C)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC1CC(O)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3CC1CC(O)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1CCOC1=O.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(CC(CO)(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(CC(O)(C3)C1)C2
• InChI: InChI=1S/C17H24F2O5.2C16H22F2O5.C15H17F3O6.C15H20F2O5.C14H17FO6.C13H14F2O6.C9H10F2O6.8CH4/c1-15(18,19)14(22)23-7-13(21)24-10-17-5-11-2-12(6-17)4-16(3-11,8-17)9-20;1-14(17,18)13(20)22-7-12(19)23-9-15-3-10-2-11(4-15)6-16(21,5-10)8-15;1-14(23-12(19)8-22-13(20)15(2,17)18)10-3-9-4-11(14)7-16(21,5-9)6-10;1-14(2,15(16,17)18)13(21)22-5-9(19)23-10-6-3-7-8(4-6)12(20)24-11(7)10;1-14(16,17)13(19)21-7-11(18)22-12-9-2-8-3-10(12)6-15(20,4-8)5-9;1-14(2,15)13(18)19-5-9(16)20-10-6-3-7-8(4-6)12(17)21-11(7)10;1-13(14,15)12(18)19-4-8(16)20-9-5-2-6-7(3-5)11(17)21-10(6)9;1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13;;;;;;;;/h11-12,20H,2-10H2,1H3;10-11,21H,2-9H2,1H3;9-11,21H,3-8H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;8-10,12,20H,2-7H2,1H3;6-8,10-11H,3-5H2,1-2H3;5-7,9-10H,2-4H2,1H3;5H,2-4H2,1H3;8*1H4
• InChIKey: ZXIVVPMMRPIKTH-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 606.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2664.70
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

The IUPAC name of [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate (CID 162246121) is [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate.

What is the SMILES notation for [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

The canonical SMILES for [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate is C.C.C.C.C.C.C.C.CC(C)(C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2)C(F)(F)F.CC(C)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC1CC(O)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3CC1CC(O)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1CCOC1=O.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(CC(CO)(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.

What is the InChIKey of [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

The InChIKey is ZXIVVPMMRPIKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O5.2C16H22F2O5.C15H17F3O6.C15H20F2O5.C14H17FO6.C13H14F2O6.C9H10F2O6.8CH4/c1-15(18,19)14(22)23-7-13(21)24-10-17-5-11-2-12(6-17)4-16(3-11,8-17)9-20;1-14(17,18)13(20)22-7-12(19)23-9-15-3-10-2-11(4-15)6-16(21,5-10)8-15;1-14(23-12(19)8-22-13(20)15(2,17)18)10-3-9-4-11(14)7-16(21,5-9)6-10;1-14(2,15(16,17)18)13(21)22-5-9(19)23-10-6-3-7-8(4-6)12(20)24-11(7)10;1-14(16,17)13(19)21-7-11(18)22-12-9-2-8-3-10(12)6-15(20,4-8)5-9;1-14(2,15)13(18)19-5-9(16)20-10-6-3-7-8(4-6)12(17)21-11(7)10;1-13(14,15)12(18)19-4-8(16)20-9-5-2-6-7(3-5)11(17)21-10(6)9;1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13;;;;;;;;/h11-12,20H,2-10H2,1H3;10-11,21H,2-9H2,1H3;9-11,21H,3-8H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;8-10,12,20H,2-7H2,1H3;6-8,10-11H,3-5H2,1-2H3;5-7,9-10H,2-4H2,1H3;5H,2-4H2,1H3;8*1H4.

What are the key properties of [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate has a molecular weight of 2664.70 g/mol, XLogP of 16.28, 35 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate is sourced from PubChem (CID 162246121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).