[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane

C15H21BrFN3OSi — CID 21069769

IUPAC[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cn(-c2cc(F)ccc2Br)nn1
InChIInChI=1S/C15H21BrFN3OSi/c1-15(2,3)22(4,5)21-10-12-9-20(19-18-12)14-8-11(17)6-7-13(14)16/h6-9H,10H2,1-5H3
InChIKeyUOUGDFGXZIORCC-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.69
Rot. Bonds4

About [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane

[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 21069769) has the molecular formula C15H21BrFN3OSi and a molecular weight of 386.34 g/mol. Its IUPAC name is [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID21069769
Molecular FormulaC15H21BrFN3OSi
Molecular Weight386.34 g/mol
Exact Mass385.06
IUPAC Name[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cn(-c2cc(F)ccc2Br)nn1
InChIInChI=1S/C15H21BrFN3OSi/c1-15(2,3)22(4,5)21-10-12-9-20(19-18-12)14-8-11(17)6-7-13(14)16/h6-9H,10H2,1-5H3
InChIKeyUOUGDFGXZIORCC-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane (CID 21069769) is [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cn(-c2cc(F)ccc2Br)nn1.
What is the InChIKey of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is UOUGDFGXZIORCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3OSi/c1-15(2,3)22(4,5)21-10-12-9-20(19-18-12)14-8-11(17)6-7-13(14)16/h6-9H,10H2,1-5H3.
What are the key properties of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane?
[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 386.34 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 21069769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).