methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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

C110H138F14O37 — CID 157342226

About methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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

methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 157342226) has the molecular formula C110H138F14O37 and a molecular weight of 2318.25 g/mol. Its IUPAC name is methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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: methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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: 157342226
• Molecular Formula: C110H138F14O37
• Molecular Weight: 2318.25 g/mol
• Exact Mass: 2316.87
• IUPAC Name: methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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.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)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1CCOC1=O.CC(F)(F)C(=O)OCC(=O)OCC1CCCCO1.Cc1ccc(C23CC4CC(CC(COC(=O)COC(=O)C(C)(F)F)(C4)C2)C3)cc1.Cc1ccc(C23CC4CC(CC(COC(=O)COC(=O)C(C)(F)F)(C4)C2)C3)cc1
• InChI: InChI=1S/2C23H28F2O4.C15H17F3O6.C14H17FO6.C13H14F2O6.C11H16F2O5.C9H10F2O6.2CH4/c2*1-15-3-5-18(6-4-15)23-10-16-7-17(11-23)9-22(8-16,13-23)14-29-19(26)12-28-20(27)21(2,24)25;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(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;1-11(12,13)10(15)18-7-9(14)17-6-8-4-2-3-5-16-8;1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13;;/h2*3-6,16-17H,7-14H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;5-7,9-10H,2-4H2,1H3;8H,2-7H2,1H3;5H,2-4H2,1H3;2*1H4
• InChIKey: BGNLDRZRAXEJFU-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 482.63 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2318.25
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 157342226) is methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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.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)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1CCOC1=O.CC(F)(F)C(=O)OCC(=O)OCC1CCCCO1.Cc1ccc(C23CC4CC(CC(COC(=O)COC(=O)C(C)(F)F)(C4)C2)C3)cc1.Cc1ccc(C23CC4CC(CC(COC(=O)COC(=O)C(C)(F)F)(C4)C2)C3)cc1.

What is the InChIKey of methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 BGNLDRZRAXEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28F2O4.C15H17F3O6.C14H17FO6.C13H14F2O6.C11H16F2O5.C9H10F2O6.2CH4/c2*1-15-3-5-18(6-4-15)23-10-16-7-17(11-23)9-22(8-16,13-23)14-29-19(26)12-28-20(27)21(2,24)25;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(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;1-11(12,13)10(15)18-7-9(14)17-6-8-4-2-3-5-16-8;1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13;;/h2*3-6,16-17H,7-14H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;5-7,9-10H,2-4H2,1H3;8H,2-7H2,1H3;5H,2-4H2,1H3;2*1H4.

What are the key properties of methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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?

methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 2318.25 g/mol, XLogP of 14.82, 33 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for methane;bis([2-[[3-(4-methylphenyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate);[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[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 157342226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).