2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide

C20H25F6NO7 — CID 102333314

About 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide

2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 102333314) has the molecular formula C20H25F6NO7 and a molecular weight of 505.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide
• PubChem CID: 102333314
• Molecular Formula: C20H25F6NO7
• Molecular Weight: 505.41 g/mol
• Exact Mass: 505.15
• IUPAC Name: 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide
• SMILES: COCCOCCOCCOc1ccc(COCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1
• InChI: InChI=1S/C20H25F6NO7/c1-30-8-9-31-10-11-32-12-13-34-16-4-2-15(3-5-16)14-33-7-6-27(17(28)19(21,22)23)18(29)20(24,25)26/h2-5H,6-14H2,1H3
• InChIKey: NVPCRIAVIHPQGE-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 83.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.41
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide (CID 102333314) is 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide is COCCOCCOCCOc1ccc(COCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1.

What is the InChIKey of 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide?

The InChIKey is NVPCRIAVIHPQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F6NO7/c1-30-8-9-31-10-11-32-12-13-34-16-4-2-15(3-5-16)14-33-7-6-27(17(28)19(21,22)23)18(29)20(24,25)26/h2-5H,6-14H2,1H3.

What are the key properties of 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide?

2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 505.41 g/mol, XLogP of 2.74, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[2-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]ethyl]-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 102333314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).