2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane

C11H12BrFSi — CID 146155433

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

About 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane

2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane (PubChem CID 146155433) has the molecular formula C11H12BrFSi and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane
PubChem CID146155433
Molecular FormulaC11H12BrFSi
Molecular Weight271.20 g/mol
Exact Mass269.99
IUPAC Name2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFSi/c1-14(2,3)7-6-9-4-5-11(13)10(12)8-9/h4-5,8H,1-3H3
InChIKeyCMEKPBMMSYAKBC-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'}

Analyze 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane (CID 146155433) is 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
The InChIKey is CMEKPBMMSYAKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFSi/c1-14(2,3)7-6-9-4-5-11(13)10(12)8-9/h4-5,8H,1-3H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane?
2-(3-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-(3-bromo-4-fluorophenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 146155433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).