ditert-butyl-ethynyl-fluorosilane

C10H19FSi — CID 72704291

IUPACditert-butyl-ethynyl-fluorosilane
SMILESC#C[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H19FSi/c1-8-12(11,9(2,3)4)10(5,6)7/h1H,2-7H3
InChIKeyYZPIAISJLGYPEX-UHFFFAOYSA-N
MW186.35 g/mol
LogP3.67
Rot. Bonds

About ditert-butyl-ethynyl-fluorosilane

ditert-butyl-ethynyl-fluorosilane (PubChem CID 72704291) has the molecular formula C10H19FSi and a molecular weight of 186.35 g/mol. Its IUPAC name is ditert-butyl-ethynyl-fluorosilane.

Molecular Properties

Compound Nameditert-butyl-ethynyl-fluorosilane
PubChem CID72704291
Molecular FormulaC10H19FSi
Molecular Weight186.35 g/mol
Exact Mass186.12
IUPAC Nameditert-butyl-ethynyl-fluorosilane
SMILESC#C[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H19FSi/c1-8-12(11,9(2,3)4)10(5,6)7/h1H,2-7H3
InChIKeyYZPIAISJLGYPEX-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ditert-butyl-ethynyl-fluorosilane 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 ditert-butyl-ethynyl-fluorosilane?
The IUPAC name of ditert-butyl-ethynyl-fluorosilane (CID 72704291) is ditert-butyl-ethynyl-fluorosilane.
What is the SMILES notation for ditert-butyl-ethynyl-fluorosilane?
The canonical SMILES for ditert-butyl-ethynyl-fluorosilane is C#C[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-ethynyl-fluorosilane?
The InChIKey is YZPIAISJLGYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FSi/c1-8-12(11,9(2,3)4)10(5,6)7/h1H,2-7H3.
What are the key properties of ditert-butyl-ethynyl-fluorosilane?
ditert-butyl-ethynyl-fluorosilane has a molecular weight of 186.35 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-ethynyl-fluorosilane is sourced from PubChem (CID 72704291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).