tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane

C22H27FN2OSi — CID 71087269

IUPACtert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1cncn1CCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27FN2OSi/c1-22(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-19-16-24-18-25(19)15-14-23/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeyKOJBNFIEZRYHLO-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.93
Rot. Bonds7

About tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane

tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane (PubChem CID 71087269) has the molecular formula C22H27FN2OSi and a molecular weight of 382.56 g/mol. Its IUPAC name is tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane
PubChem CID71087269
Molecular FormulaC22H27FN2OSi
Molecular Weight382.56 g/mol
Exact Mass382.19
IUPAC Nametert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1cncn1CCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27FN2OSi/c1-22(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-19-16-24-18-25(19)15-14-23/h4-13,16,18H,14-15,17H2,1-3H3
InChIKeyKOJBNFIEZRYHLO-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane (CID 71087269) is tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OCc1cncn1CCF)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane?
The InChIKey is KOJBNFIEZRYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2OSi/c1-22(2,3)27(20-10-6-4-7-11-20,21-12-8-5-9-13-21)26-17-19-16-24-18-25(19)15-14-23/h4-13,16,18H,14-15,17H2,1-3H3.
What are the key properties of tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane?
tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane has a molecular weight of 382.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(2-fluoroethyl)imidazol-4-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 71087269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).