tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane

C13H20ClFOSi — CID 91733153

IUPACtert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)cccc1Cl
InChIInChI=1S/C13H20ClFOSi/c1-13(2,3)17(4,5)16-9-10-11(14)7-6-8-12(10)15/h6-8H,9H2,1-5H3
InChIKeyZIHHKEIONAABMG-UHFFFAOYSA-N
MW274.84 g/mol
LogP5.00
Rot. Bonds3

About tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane

tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane (PubChem CID 91733153) has the molecular formula C13H20ClFOSi and a molecular weight of 274.84 g/mol. Its IUPAC name is tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
PubChem CID91733153
Molecular FormulaC13H20ClFOSi
Molecular Weight274.84 g/mol
Exact Mass274.10
IUPAC Nametert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)cccc1Cl
InChIInChI=1S/C13H20ClFOSi/c1-13(2,3)17(4,5)16-9-10-11(14)7-6-8-12(10)15/h6-8H,9H2,1-5H3
InChIKeyZIHHKEIONAABMG-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.84
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane (CID 91733153) is tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1c(F)cccc1Cl.
What is the InChIKey of tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
The InChIKey is ZIHHKEIONAABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFOSi/c1-13(2,3)17(4,5)16-9-10-11(14)7-6-8-12(10)15/h6-8H,9H2,1-5H3.
What are the key properties of tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane?
tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane has a molecular weight of 274.84 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 91733153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).