[1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane

C22H27FN2OSi — CID 173491716

IUPAC[1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1cn(CCF)cn1
InChIInChI=1S/C22H27FN2OSi/c1-22(2,3)21(20-16-25(15-14-23)17-24-20)26-27(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21,27H,14-15H2,1-3H3
InChIKeyGZGSOCYMHRTBEH-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.49
Rot. Bonds7

About [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane

[1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane (PubChem CID 173491716) has the molecular formula C22H27FN2OSi and a molecular weight of 382.56 g/mol. Its IUPAC name is [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane.

Molecular Properties

Compound Name[1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane
PubChem CID173491716
Molecular FormulaC22H27FN2OSi
Molecular Weight382.56 g/mol
Exact Mass382.19
IUPAC Name[1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1cn(CCF)cn1
InChIInChI=1S/C22H27FN2OSi/c1-22(2,3)21(20-16-25(15-14-23)17-24-20)26-27(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21,27H,14-15H2,1-3H3
InChIKeyGZGSOCYMHRTBEH-UHFFFAOYSA-N
XLogP3.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.49
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 [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
The IUPAC name of [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane (CID 173491716) is [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane.
What is the SMILES notation for [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
The canonical SMILES for [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane is CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1cn(CCF)cn1.
What is the InChIKey of [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
The InChIKey is GZGSOCYMHRTBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2OSi/c1-22(2,3)21(20-16-25(15-14-23)17-24-20)26-27(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,21,27H,14-15H2,1-3H3.
What are the key properties of [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
[1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane has a molecular weight of 382.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-fluoroethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane is sourced from PubChem (CID 173491716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).