2-(3-fluorophenyl)ethynyl-trimethylsilane

C11H13FSi — CID 4571339

IUPAC2-(3-fluorophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cccc(F)c1
InChIInChI=1S/C11H13FSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h4-6,9H,1-3H3
InChIKeyNHSIZUNNAYOVMR-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.05
Rot. Bonds

About 2-(3-fluorophenyl)ethynyl-trimethylsilane

2-(3-fluorophenyl)ethynyl-trimethylsilane (PubChem CID 4571339) has the molecular formula C11H13FSi and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-fluorophenyl)ethynyl-trimethylsilane
PubChem CID4571339
Molecular FormulaC11H13FSi
Molecular Weight192.31 g/mol
Exact Mass192.08
IUPAC Name2-(3-fluorophenyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cccc(F)c1
InChIInChI=1S/C11H13FSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h4-6,9H,1-3H3
InChIKeyNHSIZUNNAYOVMR-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.05
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-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-fluorophenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-fluorophenyl)ethynyl-trimethylsilane (CID 4571339) is 2-(3-fluorophenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-fluorophenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-fluorophenyl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)ethynyl-trimethylsilane?
The InChIKey is NHSIZUNNAYOVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FSi/c1-13(2,3)8-7-10-5-4-6-11(12)9-10/h4-6,9H,1-3H3.
What are the key properties of 2-(3-fluorophenyl)ethynyl-trimethylsilane?
2-(3-fluorophenyl)ethynyl-trimethylsilane has a molecular weight of 192.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 4571339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).