[2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

C128H184F20O40 — CID 158319450

About [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

[2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (PubChem CID 158319450) has the molecular formula C128H184F20O40 and a molecular weight of 2742.80 g/mol. Its IUPAC name is [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• PubChem CID: 158319450
• Molecular Formula: C128H184F20O40
• Molecular Weight: 2742.80 g/mol
• Exact Mass: 2741.20
• IUPAC Name: [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• SMILES: CC(C)(F)C(=O)OCC(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OC1CCC1.CC(F)(F)C(=O)OCC(=O)OC1CCCCCC1.CC(F)(F)C(=O)OCC(=O)OC1CCCCCCC1.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OCC1CC1.CC(F)(F)C(=O)OCC(=O)OCC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OCC1CCCCC1.CCC1(OC(=O)COC(=O)C(C)(C)C(F)(F)F)CCCCC1
• InChI: InChI=1S/C17H25FO4.C16H22F2O4.C15H23F3O4.C13H18F2O4.C13H20F2O4.C12H16F2O4.2C12H18F2O4.2C9H12F2O4/c1-16(2,18)15(20)21-9-14(19)22-10-17-6-11-3-12(7-17)5-13(4-11)8-17;1-15(17,18)14(20)21-8-13(19)22-9-16-5-10-2-11(6-16)4-12(3-10)7-16;1-4-14(8-6-5-7-9-14)22-11(19)10-21-12(20)13(2,3)15(16,17)18;1-13(14,15)12(17)19-7-11(16)18-6-10-5-8-2-3-9(10)4-8;1-13(14,15)12(17)18-9-11(16)19-10-7-5-3-2-4-6-8-10;1-12(13,14)11(16)17-6-10(15)18-9-5-7-2-3-8(9)4-7;1-12(13,14)11(16)18-8-10(15)17-7-9-5-3-2-4-6-9;1-12(13,14)11(16)17-8-10(15)18-9-6-4-2-3-5-7-9;1-9(10,11)8(13)15-5-7(12)14-4-6-2-3-6;1-9(10,11)8(13)14-5-7(12)15-6-3-2-4-6/h11-13H,3-10H2,1-2H3;10-12H,2-9H2,1H3;4-10H2,1-3H3;8-10H,2-7H2,1H3;10H,2-9H2,1H3;7-9H,2-6H2,1H3;2*9H,2-8H2,1H3;2*6H,2-5H2,1H3
• InChIKey: GOQVIYWMMQGHCO-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 526.00 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 46
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2742.80
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The IUPAC name of [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (CID 158319450) is [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

What is the SMILES notation for [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The canonical SMILES for [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is CC(C)(F)C(=O)OCC(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OC1CCC1.CC(F)(F)C(=O)OCC(=O)OC1CCCCCC1.CC(F)(F)C(=O)OCC(=O)OC1CCCCCCC1.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OCC1CC1.CC(F)(F)C(=O)OCC(=O)OCC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OCC1CCCCC1.CCC1(OC(=O)COC(=O)C(C)(C)C(F)(F)F)CCCCC1.

What is the InChIKey of [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The InChIKey is GOQVIYWMMQGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO4.C16H22F2O4.C15H23F3O4.C13H18F2O4.C13H20F2O4.C12H16F2O4.2C12H18F2O4.2C9H12F2O4/c1-16(2,18)15(20)21-9-14(19)22-10-17-6-11-3-12(7-17)5-13(4-11)8-17;1-15(17,18)14(20)21-8-13(19)22-9-16-5-10-2-11(6-16)4-12(3-10)7-16;1-4-14(8-6-5-7-9-14)22-11(19)10-21-12(20)13(2,3)15(16,17)18;1-13(14,15)12(17)19-7-11(16)18-6-10-5-8-2-3-9(10)4-8;1-13(14,15)12(17)18-9-11(16)19-10-7-5-3-2-4-6-8-10;1-12(13,14)11(16)17-6-10(15)18-9-5-7-2-3-8(9)4-7;1-12(13,14)11(16)18-8-10(15)17-7-9-5-3-2-4-6-9;1-12(13,14)11(16)17-8-10(15)18-9-6-4-2-3-5-7-9;1-9(10,11)8(13)15-5-7(12)14-4-6-2-3-6;1-9(10,11)8(13)14-5-7(12)15-6-3-2-4-6/h11-13H,3-10H2,1-2H3;10-12H,2-9H2,1H3;4-10H2,1-3H3;8-10H,2-7H2,1H3;10H,2-9H2,1H3;7-9H,2-6H2,1H3;2*9H,2-8H2,1H3;2*6H,2-5H2,1H3.

What are the key properties of [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

[2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate has a molecular weight of 2742.80 g/mol, XLogP of 23.86, 46 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclobutyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cycloheptyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclooctyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(cyclopropylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is sourced from PubChem (CID 158319450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).