N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide

C15H13F18N3O3Si — CID 175690734

About N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide

N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 175690734) has the molecular formula C15H13F18N3O3Si and a molecular weight of 653.34 g/mol. Its IUPAC name is N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

• Compound Name: N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide
• PubChem CID: 175690734
• Molecular Formula: C15H13F18N3O3Si
• Molecular Weight: 653.34 g/mol
• Exact Mass: 653.04
• IUPAC Name: N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide
• SMILES: CN(C(=O)C(F)(F)F)[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N(C)C(=O)C(F)(F)F)N(C)C(=O)C(F)(F)F
• InChI: InChI=1S/C15H13F18N3O3Si/c1-34(6(37)10(18,19)20)40(35(2)7(38)11(21,22)23,36(3)8(39)12(24,25)26)5-4-9(16,17)13(27,28)14(29,30)15(31,32)33/h4-5H2,1-3H3
• InChIKey: YDTOJJGYMLGTKS-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 60.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.34
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide?

The IUPAC name of N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide (CID 175690734) is N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide.

What is the SMILES notation for N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide?

The canonical SMILES for N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N(C)C(=O)C(F)(F)F)N(C)C(=O)C(F)(F)F.

What is the InChIKey of N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide?

The InChIKey is YDTOJJGYMLGTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F18N3O3Si/c1-34(6(37)10(18,19)20)40(35(2)7(38)11(21,22)23,36(3)8(39)12(24,25)26)5-4-9(16,17)13(27,28)14(29,30)15(31,32)33/h4-5H2,1-3H3.

What are the key properties of N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide?

N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 653.34 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[bis[methyl-(2,2,2-trifluoroacetyl)amino]-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 175690734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).