tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane

C15H21FN2OSi — CID 141103027

IUPACtert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C15H21FN2OSi/c1-15(2,3)20(4,5)19-14-10-18(11-17-14)13-8-6-12(16)7-9-13/h6-11H,1-5H3
InChIKeyVIGHNEHUAJHYIG-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.40
Rot. Bonds3

About tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane

tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane (PubChem CID 141103027) has the molecular formula C15H21FN2OSi and a molecular weight of 292.43 g/mol. Its IUPAC name is tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane
PubChem CID141103027
Molecular FormulaC15H21FN2OSi
Molecular Weight292.43 g/mol
Exact Mass292.14
IUPAC Nametert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C15H21FN2OSi/c1-15(2,3)20(4,5)19-14-10-18(11-17-14)13-8-6-12(16)7-9-13/h6-11H,1-5H3
InChIKeyVIGHNEHUAJHYIG-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane (CID 141103027) is tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cn(-c2ccc(F)cc2)cn1.
What is the InChIKey of tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane?
The InChIKey is VIGHNEHUAJHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OSi/c1-15(2,3)20(4,5)19-14-10-18(11-17-14)13-8-6-12(16)7-9-13/h6-11H,1-5H3.
What are the key properties of tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane?
tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane has a molecular weight of 292.43 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(4-fluorophenyl)imidazol-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 141103027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).