2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide

C18H22F17NO6Si — CID 87502411

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide (PubChem CID 87502411) has the molecular formula C18H22F17NO6Si and a molecular weight of 699.43 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide.

Molecular Properties

• Compound Name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide
• PubChem CID: 87502411
• Molecular Formula: C18H22F17NO6Si
• Molecular Weight: 699.43 g/mol
• Exact Mass: 699.09
• IUPAC Name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide
• SMILES: CCO[Si](CCCNC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(OCC)OCC
• InChI: InChI=1S/C18H22F17NO6Si/c1-4-38-43(39-5-2,40-6-3)9-7-8-36-10(37)11(19,14(23,24)25)41-18(34,35)13(22,16(29,30)31)42-17(32,33)12(20,21)15(26,27)28/h4-9H2,1-3H3,(H,36,37)
• InChIKey: ONBUOZZCNKNWEE-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 75.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.43
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide?

The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide (CID 87502411) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide.

What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide?

The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide is CCO[Si](CCCNC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(OCC)OCC.

What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide?

The InChIKey is ONBUOZZCNKNWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F17NO6Si/c1-4-38-43(39-5-2,40-6-3)9-7-8-36-10(37)11(19,14(23,24)25)41-18(34,35)13(22,16(29,30)31)42-17(32,33)12(20,21)15(26,27)28/h4-9H2,1-3H3,(H,36,37).

What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide?

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide has a molecular weight of 699.43 g/mol, XLogP of 6.41, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-triethoxysilylpropyl)propanamide is sourced from PubChem (CID 87502411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).