2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide

C20H26F17NO6SSi — CID 19428929

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide (PubChem CID 19428929) has the molecular formula C20H26F17NO6SSi and a molecular weight of 759.55 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide.

Molecular Properties

• Compound Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide
• PubChem CID: 19428929
• Molecular Formula: C20H26F17NO6SSi
• Molecular Weight: 759.55 g/mol
• Exact Mass: 759.10
• IUPAC Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide
• SMILES: CCCN(C(=O)C(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C20H26F17NO6SSi/c1-6-10-38(46(42-7-2,43-8-3)44-9-4)12(39)11(5)45(40,41)20(36,37)18(31,32)16(27,28)14(23,24)13(21,22)15(25,26)17(29,30)19(33,34)35/h11H,6-10H2,1-5H3
• InChIKey: LWHBCZIUJQDHLA-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 82.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.55
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide?

The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide (CID 19428929) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide.

What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide?

The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide is CCCN(C(=O)C(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](OCC)(OCC)OCC.

What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide?

The InChIKey is LWHBCZIUJQDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F17NO6SSi/c1-6-10-38(46(42-7-2,43-8-3)44-9-4)12(39)11(5)45(40,41)20(36,37)18(31,32)16(27,28)14(23,24)13(21,22)15(25,26)17(29,30)19(33,34)35/h11H,6-10H2,1-5H3.

What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide?

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide has a molecular weight of 759.55 g/mol, XLogP of 6.54, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)-N-propyl-N-triethoxysilylpropanamide is sourced from PubChem (CID 19428929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).