2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C16H22F4N2OSi — CID 123576928

About 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123576928) has the molecular formula C16H22F4N2OSi and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 123576928
• Molecular Formula: C16H22F4N2OSi
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.14
• IUPAC Name: 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C=CC=C(C(=C)F)c1nc(C(F)(F)F)cn1COCC[Si](C)(C)C
• InChI: InChI=1S/C16H22F4N2OSi/c1-6-7-13(12(2)17)15-21-14(16(18,19)20)10-22(15)11-23-8-9-24(3,4)5/h6-7,10H,1-2,8-9,11H2,3-5H3
• InChIKey: GNXIETNRQILWOI-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123576928) is 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C=CC=C(C(=C)F)c1nc(C(F)(F)F)cn1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is GNXIETNRQILWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4N2OSi/c1-6-7-13(12(2)17)15-21-14(16(18,19)20)10-22(15)11-23-8-9-24(3,4)5/h6-7,10H,1-2,8-9,11H2,3-5H3.

What are the key properties of 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 362.44 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-fluorohexa-1,3,5-trien-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123576928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).