tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane

C20H24Br2ClFO2Si — CID 167433936

IUPACtert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(Oc1c(Br)cccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C20H24Br2ClFO2Si/c1-20(2,3)27(4,5)25-12-18(14-10-9-13(23)11-17(14)24)26-19-15(21)7-6-8-16(19)22/h6-11,18H,12H2,1-5H3
InChIKeyFCMRELGLSWURNB-UHFFFAOYSA-N
MW538.76 g/mol
LogP8.15
Rot. Bonds6

About tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane

tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane (PubChem CID 167433936) has the molecular formula C20H24Br2ClFO2Si and a molecular weight of 538.76 g/mol. Its IUPAC name is tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane
PubChem CID167433936
Molecular FormulaC20H24Br2ClFO2Si
Molecular Weight538.76 g/mol
Exact Mass535.96
IUPAC Nametert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(Oc1c(Br)cccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C20H24Br2ClFO2Si/c1-20(2,3)27(4,5)25-12-18(14-10-9-13(23)11-17(14)24)26-19-15(21)7-6-8-16(19)22/h6-11,18H,12H2,1-5H3
InChIKeyFCMRELGLSWURNB-UHFFFAOYSA-N
XLogP8.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.76
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
CID 166094959
[(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane
CID 59315520
(2S)-2-(5-bromo-2-fluorophenoxy)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 172790117
3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane
CID 155571683
2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine
CID 146156914
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 105022461
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
methyl 2-(2-bromo-6-nitrophenoxy)-2-(4-chloro-2-fluorophenyl)acetate
CID 166020773

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane (CID 167433936) is tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(Oc1c(Br)cccc1Br)c1ccc(Cl)cc1F.
What is the InChIKey of tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane?
The InChIKey is FCMRELGLSWURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2ClFO2Si/c1-20(2,3)27(4,5)25-12-18(14-10-9-13(23)11-17(14)24)26-19-15(21)7-6-8-16(19)22/h6-11,18H,12H2,1-5H3.
What are the key properties of tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane?
tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane has a molecular weight of 538.76 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane is sourced from PubChem (CID 167433936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).