2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

C179H225F10O39S5+5 — CID 158082484

About 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (PubChem CID 158082484) has the molecular formula C179H225F10O39S5+5 and a molecular weight of 3351.04 g/mol. Its IUPAC name is 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).

Molecular Properties

• Compound Name: 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
• PubChem CID: 158082484
• Molecular Formula: C179H225F10O39S5+5
• Molecular Weight: 3351.04 g/mol
• Exact Mass: 3348.40
• IUPAC Name: 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
• SMILES: CC(F)(F)C(=O)OC12CC3CC(CC(OCC(=O)OC45CC6CC(C4)C(=O)C(C6)C5)(C3)C1)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5O4)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC1CCC4CC1OC4=O)(C3)C2.CC(F)(F)COC(=O)C12CC3CC(CC(OCC(=O)OC45CC6CC(C4)C(=O)C(C6)C5)(C3)C1)C2.CC(F)(F)COC(=O)C12CC3CC(CC(OCC(=O)OC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1
• InChI: InChI=1S/C26H34F2O6.C25H32F2O6.C24H30F2O7.C22H26F2O8.C22H28F2O7.5C12H15OS/c1-23(27,28)14-32-22(31)24-5-16-2-17(6-24)9-26(8-16,13-24)33-12-20(29)34-25-7-15-3-18(10-25)21(30)19(4-15)11-25;1-22(26,27)21(30)33-25-8-15-2-16(9-25)7-24(6-15,13-25)31-12-19(28)32-23-5-14-3-17(10-23)20(29)18(4-14)11-23;1-22(25,26)11-30-21(29)23-5-12-2-13(6-23)8-24(7-12,10-23)31-9-17(27)32-18-14-3-15-16(4-14)20(28)33-19(15)18;1-21(23,24)20(27)32-15-10-2-9-3-11(15)7-22(5-9,6-10)28-8-14(25)30-17-13-4-12-16(29-13)18(17)31-19(12)26;1-21(23,24)20(27)31-18-13-4-11-5-14(18)9-22(7-11,8-13)28-10-17(25)29-15-3-2-12-6-16(15)30-19(12)26;5*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h15-19H,2-14H2,1H3;14-18H,2-13H2,1H3;12-16,18-19H,2-11H2,1H3;9-13,15-18H,2-8H2,1H3;11-16,18H,2-10H2,1H3;5*1-3,6-7H,4-5,8-10H2/q;;;;;5*+1
• InChIKey: FNCUPOQLATZTHO-UHFFFAOYSA-N
• XLogP: 27.22
• TPSA: 516.77 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 47
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3351.04
LogP ≤ 5	27.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

The IUPAC name of 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (CID 158082484) is 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).

What is the SMILES notation for 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

The canonical SMILES for 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is CC(F)(F)C(=O)OC12CC3CC(CC(OCC(=O)OC45CC6CC(C4)C(=O)C(C6)C5)(C3)C1)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5O4)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC1CCC4CC1OC4=O)(C3)C2.CC(F)(F)COC(=O)C12CC3CC(CC(OCC(=O)OC45CC6CC(C4)C(=O)C(C6)C5)(C3)C1)C2.CC(F)(F)COC(=O)C12CC3CC(CC(OCC(=O)OC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.

What is the InChIKey of 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

The InChIKey is FNCUPOQLATZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2O6.C25H32F2O6.C24H30F2O7.C22H26F2O8.C22H28F2O7.5C12H15OS/c1-23(27,28)14-32-22(31)24-5-16-2-17(6-24)9-26(8-16,13-24)33-12-20(29)34-25-7-15-3-18(10-25)21(30)19(4-15)11-25;1-22(26,27)21(30)33-25-8-15-2-16(9-25)7-24(6-15,13-25)31-12-19(28)32-23-5-14-3-17(10-23)20(29)18(4-14)11-23;1-22(25,26)11-30-21(29)23-5-12-2-13(6-23)8-24(7-12,10-23)31-9-17(27)32-18-14-3-15-16(4-14)20(28)33-19(15)18;1-21(23,24)20(27)32-15-10-2-9-3-11(15)7-22(5-9,6-10)28-8-14(25)30-17-13-4-12-16(29-13)18(17)31-19(12)26;1-21(23,24)20(27)31-18-13-4-11-5-14(18)9-22(7-11,8-13)28-10-17(25)29-15-3-2-12-6-16(15)30-19(12)26;5*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h15-19H,2-14H2,1H3;14-18H,2-13H2,1H3;12-16,18-19H,2-11H2,1H3;9-13,15-18H,2-8H2,1H3;11-16,18H,2-10H2,1H3;5*1-3,6-7H,4-5,8-10H2/q;;;;;5*+1.

What are the key properties of 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?

2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) has a molecular weight of 3351.04 g/mol, XLogP of 27.22, 47 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropyl 3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]adamantane-1-carboxylate;2,2-difluoropropyl 3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]adamantane-1-carboxylate;[3-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is sourced from PubChem (CID 158082484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).