tert-butyl-(2-fluorophenoxy)-dimethylsilane

C12H19FOSi — CID 597214

IUPACtert-butyl-(2-fluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1F
InChIInChI=1S/C12H19FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-9H,1-5H3
InChIKeyXYCONJXQTVOVQQ-UHFFFAOYSA-N
MW226.37 g/mol
LogP4.21
Rot. Bonds2

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

tert-butyl-(2-fluorophenoxy)-dimethylsilane (PubChem CID 597214) has the molecular formula C12H19FOSi and a molecular weight of 226.37 g/mol. Its IUPAC name is tert-butyl-(2-fluorophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-fluorophenoxy)-dimethylsilane
PubChem CID597214
Molecular FormulaC12H19FOSi
Molecular Weight226.37 g/mol
Exact Mass226.12
IUPAC Nametert-butyl-(2-fluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1F
InChIInChI=1S/C12H19FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-9H,1-5H3
InChIKeyXYCONJXQTVOVQQ-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 54.21
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-fluorophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-fluorophenoxy)-dimethylsilane (CID 597214) is tert-butyl-(2-fluorophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-fluorophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-fluorophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccccc1F.
What is the InChIKey of tert-butyl-(2-fluorophenoxy)-dimethylsilane?
The InChIKey is XYCONJXQTVOVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-9H,1-5H3.
What are the key properties of tert-butyl-(2-fluorophenoxy)-dimethylsilane?
tert-butyl-(2-fluorophenoxy)-dimethylsilane has a molecular weight of 226.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-fluorophenoxy)-dimethylsilane is sourced from PubChem (CID 597214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).