2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide

C14H20F11NO8Si — CID 153452949

About 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide

2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide (PubChem CID 153452949) has the molecular formula C14H20F11NO8Si and a molecular weight of 567.38 g/mol. Its IUPAC name is 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide
• PubChem CID: 153452949
• Molecular Formula: C14H20F11NO8Si
• Molecular Weight: 567.38 g/mol
• Exact Mass: 567.08
• IUPAC Name: 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide
• SMILES: CO[Si](CCCNC(=O)COCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)(OC)OC
• InChI: InChI=1S/C14H20F11NO8Si/c1-28-35(29-2,30-3)6-4-5-26-9(27)7-31-8-10(15,16)32-14(24,25)34-12(19,20)11(17,18)33-13(21,22)23/h4-8H2,1-3H3,(H,26,27)
• InChIKey: HROAASAIDLNQOU-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 93.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.38
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide?

The IUPAC name of 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide (CID 153452949) is 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide.

What is the SMILES notation for 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide?

The canonical SMILES for 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide is CO[Si](CCCNC(=O)COCC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)(OC)OC.

What is the InChIKey of 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide?

The InChIKey is HROAASAIDLNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F11NO8Si/c1-28-35(29-2,30-3)6-4-5-26-9(27)7-31-8-10(15,16)32-14(24,25)34-12(19,20)11(17,18)33-13(21,22)23/h4-8H2,1-3H3,(H,26,27).

What are the key properties of 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide?

2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide has a molecular weight of 567.38 g/mol, XLogP of 3.29, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide is sourced from PubChem (CID 153452949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).