[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

C144H213F17O36 — CID 158287818

About [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (PubChem CID 158287818) has the molecular formula C144H213F17O36 and a molecular weight of 2843.22 g/mol. Its IUPAC name is [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• PubChem CID: 158287818
• Molecular Formula: C144H213F17O36
• Molecular Weight: 2843.22 g/mol
• Exact Mass: 2841.46
• IUPAC Name: [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• SMILES: CC(C)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(C)(C)C(F)(F)F)C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(C)(C)C(F)(F)F)CCCCC1.CC1(OC(=O)COC(=O)C(C)(C)F)CCCCC1.CCC1(OC(=O)COC(=O)C(C)(C)F)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1
• InChI: InChI=1S/C18H25F3O4.C18H27FO4.C17H24F2O4.C17H25FO4.C16H22F2O4.C16H24F2O4.C15H24F2O4.C14H21F3O4.C13H21FO4/c1-16(2,18(19,20)21)15(23)24-9-14(22)25-17(3)12-5-10-4-11(7-12)8-13(17)6-10;1-4-18(23-15(20)10-22-16(21)17(2,3)19)13-6-11-5-12(8-13)9-14(18)7-11;1-3-17(23-14(20)9-22-15(21)16(2,18)19)12-5-10-4-11(7-12)8-13(17)6-10;1-16(2,18)15(20)21-9-14(19)22-17(3)12-5-10-4-11(7-12)8-13(17)6-10;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;1-3-4-7-16(9-11-5-6-12(16)8-11)22-13(19)10-21-14(20)15(2,17)18;1-3-4-8-15(9-6-5-7-10-15)21-12(18)11-20-13(19)14(2,16)17;1-12(2,14(15,16)17)11(19)20-9-10(18)21-13(3)7-5-4-6-8-13;1-12(2,14)11(16)17-9-10(15)18-13(3)7-5-4-6-8-13/h10-13H,4-9H2,1-3H3;11-14H,4-10H2,1-3H3;10-13H,3-9H2,1-2H3;10-13H,4-9H2,1-3H3;9-12H,3-8H2,1-2H3;11-12H,3-10H2,1-2H3;3-11H2,1-2H3;4-9H2,1-3H3;4-9H2,1-3H3
• InChIKey: GKZNFUWDWVKISJ-UHFFFAOYSA-N
• XLogP: 29.64
• TPSA: 473.40 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2843.22
LogP ≤ 5	29.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The IUPAC name of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (CID 158287818) is [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

What is the SMILES notation for [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The canonical SMILES for [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is CC(C)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(C)(C)C(F)(F)F)C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(C)(C)C(F)(F)F)CCCCC1.CC1(OC(=O)COC(=O)C(C)(C)F)CCCCC1.CCC1(OC(=O)COC(=O)C(C)(C)F)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.

What is the InChIKey of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The InChIKey is GKZNFUWDWVKISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3O4.C18H27FO4.C17H24F2O4.C17H25FO4.C16H22F2O4.C16H24F2O4.C15H24F2O4.C14H21F3O4.C13H21FO4/c1-16(2,18(19,20)21)15(23)24-9-14(22)25-17(3)12-5-10-4-11(7-12)8-13(17)6-10;1-4-18(23-15(20)10-22-16(21)17(2,3)19)13-6-11-5-12(8-13)9-14(18)7-11;1-3-17(23-14(20)9-22-15(21)16(2,18)19)12-5-10-4-11(7-12)8-13(17)6-10;1-16(2,18)15(20)21-9-14(19)22-17(3)12-5-10-4-11(7-12)8-13(17)6-10;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;1-3-4-7-16(9-11-5-6-12(16)8-11)22-13(19)10-21-14(20)15(2,17)18;1-3-4-8-15(9-6-5-7-10-15)21-12(18)11-20-13(19)14(2,16)17;1-12(2,14(15,16)17)11(19)20-9-10(18)21-13(3)7-5-4-6-8-13;1-12(2,14)11(16)17-9-10(15)18-13(3)7-5-4-6-8-13/h10-13H,4-9H2,1-3H3;11-14H,4-10H2,1-3H3;10-13H,3-9H2,1-2H3;10-13H,4-9H2,1-3H3;9-12H,3-8H2,1-2H3;11-12H,3-10H2,1-2H3;3-11H2,1-2H3;4-9H2,1-3H3;4-9H2,1-3H3.

What are the key properties of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate has a molecular weight of 2843.22 g/mol, XLogP of 29.64, 44 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-fluoro-2-methylpropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is sourced from PubChem (CID 158287818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).