N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide

C19H20F11NO2Si — CID 165154360

About N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide

N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide (PubChem CID 165154360) has the molecular formula C19H20F11NO2Si and a molecular weight of 531.44 g/mol. Its IUPAC name is N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide.

Molecular Properties

• Compound Name: N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide
• PubChem CID: 165154360
• Molecular Formula: C19H20F11NO2Si
• Molecular Weight: 531.44 g/mol
• Exact Mass: 531.11
• IUPAC Name: N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide
• SMILES: C=C[Si](C)(C)CCCN(C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1
• InChI: InChI=1S/C19H20F11NO2Si/c1-4-34(2,3)12-8-11-31(13-9-6-5-7-10-13)14(32)15(20,17(23,24)25)33-19(29,30)16(21,22)18(26,27)28/h4-7,9-10H,1,8,11-12H2,2-3H3
• InChIKey: LJWUKELEOZKTBX-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.44
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide?

The IUPAC name of N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide (CID 165154360) is N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide.

What is the SMILES notation for N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide?

The canonical SMILES for N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide is C=C[Si](C)(C)CCCN(C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1.

What is the InChIKey of N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide?

The InChIKey is LJWUKELEOZKTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F11NO2Si/c1-4-34(2,3)12-8-11-31(13-9-6-5-7-10-13)14(32)15(20,17(23,24)25)33-19(29,30)16(21,22)18(26,27)28/h4-7,9-10H,1,8,11-12H2,2-3H3.

What are the key properties of N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide?

N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide has a molecular weight of 531.44 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[ethenyl(dimethyl)silyl]propyl]-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-phenylpropanamide is sourced from PubChem (CID 165154360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).