2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane

C22H37F7O5SSi2 — CID 177125332

About 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane

2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane (PubChem CID 177125332) has the molecular formula C22H37F7O5SSi2 and a molecular weight of 602.76 g/mol. Its IUPAC name is 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane.

Molecular Properties

• Compound Name: 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane
• PubChem CID: 177125332
• Molecular Formula: C22H37F7O5SSi2
• Molecular Weight: 602.76 g/mol
• Exact Mass: 602.18
• IUPAC Name: 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane
• SMILES: CO[Si](CCS(C)(C)c1ccc([Si](C)(C)CCCOCC(F)(OC(F)(F)F)C(F)(F)F)cc1)(OC)OC
• InChI: InChI=1S/C22H37F7O5SSi2/c1-30-37(31-2,32-3)16-14-35(4,5)18-9-11-19(12-10-18)36(6,7)15-8-13-33-17-20(23,21(24,25)26)34-22(27,28)29/h9-12H,8,13-17H2,1-7H3
• InChIKey: UECNDYQOTMFOIU-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.76
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane?

The IUPAC name of 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane (CID 177125332) is 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane.

What is the SMILES notation for 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane?

The canonical SMILES for 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane is CO[Si](CCS(C)(C)c1ccc([Si](C)(C)CCCOCC(F)(OC(F)(F)F)C(F)(F)F)cc1)(OC)OC.

What is the InChIKey of 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane?

The InChIKey is UECNDYQOTMFOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37F7O5SSi2/c1-30-37(31-2,32-3)16-14-35(4,5)18-9-11-19(12-10-18)36(6,7)15-8-13-33-17-20(23,21(24,25)26)34-22(27,28)29/h9-12H,8,13-17H2,1-7H3.

What are the key properties of 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane?

2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane has a molecular weight of 602.76 g/mol, XLogP of 6.07, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-λ4-sulfanyl]ethyl-trimethoxysilane is sourced from PubChem (CID 177125332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).