[2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane

C15H24BrFO2Si — CID 20785396

IUPAC[2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
SMILESCOC(CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H24BrFO2Si/c1-15(2,3)20(5,6)19-10-14(18-4)11-7-8-13(17)12(16)9-11/h7-9,14H,10H2,1-6H3
InChIKeyRCHPQMFQQGYMFD-UHFFFAOYSA-N
MW363.34 g/mol
LogP5.30
Rot. Bonds5

About [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane

[2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane (PubChem CID 20785396) has the molecular formula C15H24BrFO2Si and a molecular weight of 363.34 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
PubChem CID20785396
Molecular FormulaC15H24BrFO2Si
Molecular Weight363.34 g/mol
Exact Mass362.07
IUPAC Name[2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
SMILESCOC(CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H24BrFO2Si/c1-15(2,3)20(5,6)19-10-14(18-4)11-7-8-13(17)12(16)9-11/h7-9,14H,10H2,1-6H3
InChIKeyRCHPQMFQQGYMFD-UHFFFAOYSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.34
LogP ≤ 55.30
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

1-Bromo-3-((propan-2-yloxy)methyl)benzene
CID 57573841
4-Bromo-1-fluoro-2-(methoxymethyl)benzene
CID 2769415
1-Bromo-2-fluoro-3-(methoxymethyl)benzene
CID 70660929
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
1-Bromo-3-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 22033147
((2-Bromo-5-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 89561269
[(R)-[(2S,3R)-3-(5-bromo-2-fluorophenyl)oxiran-2-yl]-(4-methylphenyl)methoxy]-tert-butyl-dimethylsilane
CID 138977710
tert-butyl-[[(2S,5R)-5-(4-fluorophenyl)-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 154712782
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-trimethylsilane
CID 44190190
[(2R,3S)-3-(2-bromophenyl)oxiran-2-yl]-trimethylsilane
CID 59609125
[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane
CID 59609126

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane (CID 20785396) is [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane is COC(CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(Br)c1.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
The InChIKey is RCHPQMFQQGYMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFO2Si/c1-15(2,3)20(5,6)19-10-14(18-4)11-7-8-13(17)12(16)9-11/h7-9,14H,10H2,1-6H3.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
[2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane has a molecular weight of 363.34 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 20785396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).