[2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane

C14H21BrClFOSi — CID 169498361

IUPAC[2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CBr)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H21BrClFOSi/c1-14(2,3)19(4,5)18-13(9-15)10-6-7-12(17)11(16)8-10/h6-8,13H,9H2,1-5H3
InChIKeySPSUJPKLWSPHLS-UHFFFAOYSA-N
MW367.76 g/mol
LogP5.94
Rot. Bonds4

About [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane

[2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane (PubChem CID 169498361) has the molecular formula C14H21BrClFOSi and a molecular weight of 367.76 g/mol. Its IUPAC name is [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane
PubChem CID169498361
Molecular FormulaC14H21BrClFOSi
Molecular Weight367.76 g/mol
Exact Mass366.02
IUPAC Name[2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CBr)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H21BrClFOSi/c1-14(2,3)19(4,5)18-13(9-15)10-6-7-12(17)11(16)8-10/h6-8,13H,9H2,1-5H3
InChIKeySPSUJPKLWSPHLS-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.76
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane (CID 169498361) is [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CBr)c1ccc(F)c(Cl)c1.
What is the InChIKey of [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane?
The InChIKey is SPSUJPKLWSPHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClFOSi/c1-14(2,3)19(4,5)18-13(9-15)10-6-7-12(17)11(16)8-10/h6-8,13H,9H2,1-5H3.
What are the key properties of [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane?
[2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane has a molecular weight of 367.76 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-1-(3-chloro-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 169498361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).