tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane

C14H19FOSi — CID 177228381

IUPACtert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane
SMILESC#Cc1ccc(F)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H19FOSi/c1-7-11-8-9-12(15)10-13(11)16-17(5,6)14(2,3)4/h1,8-10H,2-6H3
InChIKeyYEJZYYOYSBJGPA-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane

tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane (PubChem CID 177228381) has the molecular formula C14H19FOSi and a molecular weight of 250.39 g/mol. Its IUPAC name is tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane
PubChem CID177228381
Molecular FormulaC14H19FOSi
Molecular Weight250.39 g/mol
Exact Mass250.12
IUPAC Nametert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane
SMILESC#Cc1ccc(F)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H19FOSi/c1-7-11-8-9-12(15)10-13(11)16-17(5,6)14(2,3)4/h1,8-10H,2-6H3
InChIKeyYEJZYYOYSBJGPA-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane 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 tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane (CID 177228381) is tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane is C#Cc1ccc(F)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane?
The InChIKey is YEJZYYOYSBJGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FOSi/c1-7-11-8-9-12(15)10-13(11)16-17(5,6)14(2,3)4/h1,8-10H,2-6H3.
What are the key properties of tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane?
tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane has a molecular weight of 250.39 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-ethynyl-5-fluorophenoxy)-dimethylsilane is sourced from PubChem (CID 177228381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).