tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane

C13H22FNOSSi — CID 174161770

IUPACtert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane
SMILESCSc1nccc(CO[Si](C)(C)C(C)(C)C)c1F
InChIInChI=1S/C13H22FNOSSi/c1-13(2,3)18(5,6)16-9-10-7-8-15-12(17-4)11(10)14/h7-8H,9H2,1-6H3
InChIKeyLKNLYDWOIFHPIZ-UHFFFAOYSA-N
MW287.48 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane

tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane (PubChem CID 174161770) has the molecular formula C13H22FNOSSi and a molecular weight of 287.48 g/mol. Its IUPAC name is tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane
PubChem CID174161770
Molecular FormulaC13H22FNOSSi
Molecular Weight287.48 g/mol
Exact Mass287.12
IUPAC Nametert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane
SMILESCSc1nccc(CO[Si](C)(C)C(C)(C)C)c1F
InChIInChI=1S/C13H22FNOSSi/c1-13(2,3)18(5,6)16-9-10-7-8-15-12(17-4)11(10)14/h7-8H,9H2,1-6H3
InChIKeyLKNLYDWOIFHPIZ-UHFFFAOYSA-N
XLogP4.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane (CID 174161770) is tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane is CSc1nccc(CO[Si](C)(C)C(C)(C)C)c1F.
What is the InChIKey of tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane?
The InChIKey is LKNLYDWOIFHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNOSSi/c1-13(2,3)18(5,6)16-9-10-7-8-15-12(17-4)11(10)14/h7-8H,9H2,1-6H3.
What are the key properties of tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane?
tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane has a molecular weight of 287.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane is sourced from PubChem (CID 174161770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).