[1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane

C11H13BrFN3Si — CID 21069770

IUPAC[1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(-c2cc(F)ccc2Br)nn1
InChIInChI=1S/C11H13BrFN3Si/c1-17(2,3)11-7-16(15-14-11)10-6-8(13)4-5-9(10)12/h4-7H,1-3H3
InChIKeyGPUUJECZQPWBSW-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.71
Rot. Bonds2

About [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane

[1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane (PubChem CID 21069770) has the molecular formula C11H13BrFN3Si and a molecular weight of 314.23 g/mol. Its IUPAC name is [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane
PubChem CID21069770
Molecular FormulaC11H13BrFN3Si
Molecular Weight314.23 g/mol
Exact Mass313.00
IUPAC Name[1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(-c2cc(F)ccc2Br)nn1
InChIInChI=1S/C11H13BrFN3Si/c1-17(2,3)11-7-16(15-14-11)10-6-8(13)4-5-9(10)12/h4-7H,1-3H3
InChIKeyGPUUJECZQPWBSW-UHFFFAOYSA-N
XLogP2.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.71
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-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane?
The IUPAC name of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane (CID 21069770) is [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane is C[Si](C)(C)c1cn(-c2cc(F)ccc2Br)nn1.
What is the InChIKey of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane?
The InChIKey is GPUUJECZQPWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3Si/c1-17(2,3)11-7-16(15-14-11)10-6-8(13)4-5-9(10)12/h4-7H,1-3H3.
What are the key properties of [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane?
[1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane has a molecular weight of 314.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-fluorophenyl)triazol-4-yl]-trimethylsilane is sourced from PubChem (CID 21069770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).