[2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate

C121H186F10O27 — CID 158975548

About [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate

[2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate (PubChem CID 158975548) has the molecular formula C121H186F10O27 and a molecular weight of 2262.77 g/mol. Its IUPAC name is [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate
• PubChem CID: 158975548
• Molecular Formula: C121H186F10O27
• Molecular Weight: 2262.77 g/mol
• Exact Mass: 2261.30
• IUPAC Name: [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)OCC(=O)OCC1(C)C2CC3CC(C2)CC1C3.CC(C)(C)C(=O)OCC1(C)C2CC3CC(C2)CC1C3.CCCOC(=O)C(OCC(F)(F)C(C)(C)C)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CCOC(=O)C(OCC(F)(F)C(C)(C)C)(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F.COC(C)OC(=O)C12CC3CC(C1)C(COC(=O)C(C)(C)C)C(C3)C2.COC(C)OC(=O)C12CC3CC(CC(COC(=O)C(C)(C)C)(C3)C1)C2
• InChI: InChI=1S/C23H33F5O5.C22H31F5O6.2C20H32O5.C19H30O4.C17H28O2/c1-5-6-31-18(30)22(23(26,27)28,32-13-21(24,25)19(2,3)4)33-17(29)20-10-14-7-15(11-20)9-16(8-14)12-20;1-5-31-16(29)21(22(25,26)27,32-12-20(23,24)17(2,3)4)33-15(28)18-7-13-6-14(8-18)10-19(30,9-13)11-18;1-13(23-5)25-17(22)20-9-14-6-15(10-20)8-19(7-14,11-20)12-24-16(21)18(2,3)4;1-12(23-5)25-18(22)20-8-13-6-14(9-20)16(15(7-13)10-20)11-24-17(21)19(2,3)4;1-18(2,3)17(21)22-10-16(20)23-11-19(4)14-6-12-5-13(8-14)9-15(19)7-12;1-16(2,3)15(18)19-10-17(4)13-6-11-5-12(8-13)9-14(17)7-11/h14-16H,5-13H2,1-4H3;13-14,30H,5-12H2,1-4H3;13-15H,6-12H2,1-5H3;12-16H,6-11H2,1-5H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3
• InChIKey: JOIQXMVCGXFJAI-UHFFFAOYSA-N
• XLogP: 24.91
• TPSA: 346.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.77
LogP ≤ 5	24.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate?

The IUPAC name of [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate (CID 158975548) is [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate?

The canonical SMILES for [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(=O)OCC1(C)C2CC3CC(C2)CC1C3.CC(C)(C)C(=O)OCC1(C)C2CC3CC(C2)CC1C3.CCCOC(=O)C(OCC(F)(F)C(C)(C)C)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CCOC(=O)C(OCC(F)(F)C(C)(C)C)(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F.COC(C)OC(=O)C12CC3CC(C1)C(COC(=O)C(C)(C)C)C(C3)C2.COC(C)OC(=O)C12CC3CC(CC(COC(=O)C(C)(C)C)(C3)C1)C2.

What is the InChIKey of [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate?

The InChIKey is JOIQXMVCGXFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F5O5.C22H31F5O6.2C20H32O5.C19H30O4.C17H28O2/c1-5-6-31-18(30)22(23(26,27)28,32-13-21(24,25)19(2,3)4)33-17(29)20-10-14-7-15(11-20)9-16(8-14)12-20;1-5-31-16(29)21(22(25,26)27,32-12-20(23,24)17(2,3)4)33-15(28)18-7-13-6-14(8-18)10-19(30,9-13)11-18;1-13(23-5)25-17(22)20-9-14-6-15(10-20)8-19(7-14,11-20)12-24-16(21)18(2,3)4;1-12(23-5)25-18(22)20-8-13-6-14(9-20)16(15(7-13)10-20)11-24-17(21)19(2,3)4;1-18(2,3)17(21)22-10-16(20)23-11-19(4)14-6-12-5-13(8-14)9-15(19)7-12;1-16(2,3)15(18)19-10-17(4)13-6-11-5-12(8-13)9-14(17)7-11/h14-16H,5-13H2,1-4H3;13-14,30H,5-12H2,1-4H3;13-15H,6-12H2,1-5H3;12-16H,6-11H2,1-5H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3.

What are the key properties of [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate?

[2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate has a molecular weight of 2262.77 g/mol, XLogP of 24.91, 31 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,2-difluoro-3,3-dimethylbutoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate;[2-(2,2-difluoro-3,3-dimethylbutoxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl] adamantane-1-carboxylate;1-methoxyethyl 3-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;1-methoxyethyl 4-(2,2-dimethylpropanoyloxymethyl)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylpropanoate;(2-methyl-2-adamantyl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 158975548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).