(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane

C13H20BrFO2Si — CID 167724287

IUPAC(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1cc(F)c(Br)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C13H20BrFO2Si/c1-13(2,3)18(5,6)17-11-8-9(16-4)7-10(15)12(11)14/h7-8H,1-6H3
InChIKeyXJNIFWIQFOZDEO-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.98
Rot. Bonds3

About (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane

(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane (PubChem CID 167724287) has the molecular formula C13H20BrFO2Si and a molecular weight of 335.29 g/mol. Its IUPAC name is (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane
PubChem CID167724287
Molecular FormulaC13H20BrFO2Si
Molecular Weight335.29 g/mol
Exact Mass334.04
IUPAC Name(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane
SMILESCOc1cc(F)c(Br)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C13H20BrFO2Si/c1-13(2,3)18(5,6)17-11-8-9(16-4)7-10(15)12(11)14/h7-8H,1-6H3
InChIKeyXJNIFWIQFOZDEO-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane (CID 167724287) is (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane is COc1cc(F)c(Br)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane?
The InChIKey is XJNIFWIQFOZDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFO2Si/c1-13(2,3)18(5,6)17-11-8-9(16-4)7-10(15)12(11)14/h7-8H,1-6H3.
What are the key properties of (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane?
(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane has a molecular weight of 335.29 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 167724287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).