2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate

C26H37F16N3O10 — CID 91057319

About 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate

2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate (PubChem CID 91057319) has the molecular formula C26H37F16N3O10 and a molecular weight of 855.56 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate.

Molecular Properties

• Compound Name: 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
• PubChem CID: 91057319
• Molecular Formula: C26H37F16N3O10
• Molecular Weight: 855.56 g/mol
• Exact Mass: 855.22
• IUPAC Name: 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
• SMILES: CCN(CC)C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)N(CC)CC.CCNCC.COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)OC
• InChI: InChI=1S/C14H20F8N2O4.C8H6F8O6.C4H11N/c1-5-23(6-2)9(25)11(15,16)27-13(19,20)14(21,22)28-12(17,18)10(26)24(7-3)8-4;1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2;1-3-5-4-2/h5-8H2,1-4H3;1-2H3;5H,3-4H2,1-2H3
• InChIKey: WOUWNIAVOPHHCX-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 142.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.56
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?

The IUPAC name of 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate (CID 91057319) is 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate.

What is the SMILES notation for 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?

The canonical SMILES for 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate is CCN(CC)C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)N(CC)CC.CCNCC.COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)OC.

What is the InChIKey of 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?

The InChIKey is WOUWNIAVOPHHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F8N2O4.C8H6F8O6.C4H11N/c1-5-23(6-2)9(25)11(15,16)27-13(19,20)14(21,22)28-12(17,18)10(26)24(7-3)8-4;1-19-3(17)5(9,10)21-7(13,14)8(15,16)22-6(11,12)4(18)20-2;1-3-5-4-2/h5-8H2,1-4H3;1-2H3;5H,3-4H2,1-2H3.

What are the key properties of 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?

2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate has a molecular weight of 855.56 g/mol, XLogP of 5.48, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate is sourced from PubChem (CID 91057319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).