2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane

C11H12BrFSi — CID 168984861

IUPAC2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFSi/c1-14(2,3)7-6-9-4-5-10(13)8-11(9)12/h4-5,8H,1-3H3
InChIKeyAQWCNPTURRMVST-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.82
Rot. Bonds

About 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane

2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane (PubChem CID 168984861) has the molecular formula C11H12BrFSi and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane
PubChem CID168984861
Molecular FormulaC11H12BrFSi
Molecular Weight271.20 g/mol
Exact Mass269.99
IUPAC Name2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFSi/c1-14(2,3)7-6-9-4-5-10(13)8-11(9)12/h4-5,8H,1-3H3
InChIKeyAQWCNPTURRMVST-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane (CID 168984861) is 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
The InChIKey is AQWCNPTURRMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFSi/c1-14(2,3)7-6-9-4-5-10(13)8-11(9)12/h4-5,8H,1-3H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane has a molecular weight of 271.20 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 168984861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).