[3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)

C183H282F20O45 — CID 157063458

About [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)

[3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate) (PubChem CID 157063458) has the molecular formula C183H282F20O45 and a molecular weight of 3582.18 g/mol. Its IUPAC name is [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate).

Molecular Properties

• Compound Name: [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)
• PubChem CID: 157063458
• Molecular Formula: C183H282F20O45
• Molecular Weight: 3582.18 g/mol
• Exact Mass: 3579.95
• IUPAC Name: [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1C2CC3CC1CC(O)(C3)C2.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(C1)CC(COC(=O)C1CCCCC1)(C3)C2.CC(F)(F)C(=O)OCC(=O)OCCOC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C24H34F2O6.C19H28F2O4.C18H26F2O4.C17H24F2O6.5C16H22F2O4.C15H20F2O5.10CH4/c1-22(25,26)21(29)30-12-19(27)31-14-23-8-16-7-17(9-23)11-24(10-16,13-23)15-32-20(28)18-5-3-2-4-6-18;1-17(2,10-24-16(23)19(4,20)21)15(22)25-18(3)13-6-11-5-12(8-13)9-14(18)7-11;1-10(9-23-16(22)18(3,19)20)15(21)24-17(2)13-5-11-4-12(7-13)8-14(17)6-11;1-15(18,19)14(21)24-9-13(20)23-2-3-25-17-7-11-4-12(8-17)6-16(22,5-11)10-17;5*1-15(22-13(19)8-21-14(20)16(2,17)18)11-4-9-3-10(6-11)7-12(15)5-9;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;;;;;;;;;;/h16-18H,2-15H2,1H3;11-14H,5-10H2,1-4H3;10-14H,4-9H2,1-3H3;11-12,22H,2-10H2,1H3;5*9-12H,3-8H2,1-2H3;8-10,12,20H,2-7H2,1H3;10*1H4
• InChIKey: ABPCOGRQFYQQPI-UHFFFAOYSA-N
• XLogP: 36.56
• TPSA: 601.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Rotatable Bonds: 49
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3582.18
LogP ≤ 5	36.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)?

The IUPAC name of [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate) (CID 157063458) is [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate).

What is the SMILES notation for [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)?

The canonical SMILES for [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate) is C.C.C.C.C.C.C.C.C.C.CC(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1C2CC3CC1CC(O)(C3)C2.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(C1)CC(COC(=O)C1CCCCC1)(C3)C2.CC(F)(F)C(=O)OCC(=O)OCCOC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.

What is the InChIKey of [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)?

The InChIKey is ABPCOGRQFYQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2O6.C19H28F2O4.C18H26F2O4.C17H24F2O6.5C16H22F2O4.C15H20F2O5.10CH4/c1-22(25,26)21(29)30-12-19(27)31-14-23-8-16-7-17(9-23)11-24(10-16,13-23)15-32-20(28)18-5-3-2-4-6-18;1-17(2,10-24-16(23)19(4,20)21)15(22)25-18(3)13-6-11-5-12(8-13)9-14(18)7-11;1-10(9-23-16(22)18(3,19)20)15(21)24-17(2)13-5-11-4-12(7-13)8-14(17)6-11;1-15(18,19)14(21)24-9-13(20)23-2-3-25-17-7-11-4-12(8-17)6-16(22,5-11)10-17;5*1-15(22-13(19)8-21-14(20)16(2,17)18)11-4-9-3-10(6-11)7-12(15)5-9;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;;;;;;;;;;/h16-18H,2-15H2,1H3;11-14H,5-10H2,1-4H3;10-14H,4-9H2,1-3H3;11-12,22H,2-10H2,1H3;5*9-12H,3-8H2,1-2H3;8-10,12,20H,2-7H2,1H3;10*1H4.

What are the key properties of [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate)?

[3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate) has a molecular weight of 3582.18 g/mol, XLogP of 36.56, 49 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-(2,2-difluoropropanoyloxy)acetyl]oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[2-[2-[(3-hydroxy-1-adamantyl)oxy]ethoxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(5-hydroxy-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methane;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoropropanoyloxy)-2-methylpropanoate;pentakis([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate) is sourced from PubChem (CID 157063458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).