[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate

C80H110F26O32 — CID 160945856

About [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate

[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate (PubChem CID 160945856) has the molecular formula C80H110F26O32 and a molecular weight of 2077.68 g/mol. Its IUPAC name is [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate
• PubChem CID: 160945856
• Molecular Formula: C80H110F26O32
• Molecular Weight: 2077.68 g/mol
• Exact Mass: 2076.66
• IUPAC Name: [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(=O)OCC(=O)OCCC(C)(F)F.CCC(C)(C)C(=O)OCCC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)C(=O)OCC(=O)OCC(=O)OCCC(C)(F)F.CCCC(=O)OCCC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCOC(=O)COC(=O)COC(=O)C(C)(C)CC.CCOC(=O)COC(=O)COC(=O)C(C)CC
• InChI: InChI=1S/C16H17F11O4.C14H13F11O4.C14H22F2O6.C13H20F2O6.C12H20O6.C11H18O6/c1-4-10(2,3)9(29)30-6-5-8(28)31-7-11(17)12(18,19)14(22,23)16(26,27)15(24,25)13(11,20)21;1-2-3-7(26)28-5-4-8(27)29-6-9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19;1-5-13(2,3)12(19)22-9-11(18)21-8-10(17)20-7-6-14(4,15)16;1-4-9(2)12(18)21-8-11(17)20-7-10(16)19-6-5-13(3,14)15;1-5-12(3,4)11(15)18-8-10(14)17-7-9(13)16-6-2;1-4-8(3)11(14)17-7-10(13)16-6-9(12)15-5-2/h4-7H2,1-3H3;2-6H2,1H3;5-9H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;8H,4-7H2,1-3H3
• InChIKey: SVCDPMYUZHETCM-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 420.80 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2077.68
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

The IUPAC name of [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate (CID 160945856) is [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

The canonical SMILES for [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OCC(=O)OCCC(C)(F)F.CCC(C)(C)C(=O)OCCC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)C(=O)OCC(=O)OCC(=O)OCCC(C)(F)F.CCCC(=O)OCCC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCOC(=O)COC(=O)COC(=O)C(C)(C)CC.CCOC(=O)COC(=O)COC(=O)C(C)CC.

What is the InChIKey of [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

The InChIKey is SVCDPMYUZHETCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F11O4.C14H13F11O4.C14H22F2O6.C13H20F2O6.C12H20O6.C11H18O6/c1-4-10(2,3)9(29)30-6-5-8(28)31-7-11(17)12(18,19)14(22,23)16(26,27)15(24,25)13(11,20)21;1-2-3-7(26)28-5-4-8(27)29-6-9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19;1-5-13(2,3)12(19)22-9-11(18)21-8-10(17)20-7-6-14(4,15)16;1-4-9(2)12(18)21-8-11(17)20-7-10(16)19-6-5-13(3,14)15;1-5-12(3,4)11(15)18-8-10(14)17-7-9(13)16-6-2;1-4-8(3)11(14)17-7-10(13)16-6-9(12)15-5-2/h4-7H2,1-3H3;2-6H2,1H3;5-9H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;8H,4-7H2,1-3H3.

What are the key properties of [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate?

[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate has a molecular weight of 2077.68 g/mol, XLogP of 14.52, 46 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(3,3-difluorobutoxy)-2-oxoethoxy]-2-oxoethyl] 2-methylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-ethoxy-2-oxoethoxy)-2-oxoethyl] 2-methylbutanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] butanoate;[3-oxo-3-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]propyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 160945856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).