1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane

C14H22BrFOSi — CID 20785308

IUPAC1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H22BrFOSi/c1-10(17-18(5,6)14(2,3)4)11-7-8-13(16)12(15)9-11/h7-10H,1-6H3
InChIKeyCTEBHYNRQKWEKU-UHFFFAOYSA-N
MW333.32 g/mol
LogP5.67
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane

1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 20785308) has the molecular formula C14H22BrFOSi and a molecular weight of 333.32 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
PubChem CID20785308
Molecular FormulaC14H22BrFOSi
Molecular Weight333.32 g/mol
Exact Mass332.06
IUPAC Name1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H22BrFOSi/c1-10(17-18(5,6)14(2,3)4)11-7-8-13(16)12(15)9-11/h7-10H,1-6H3
InChIKeyCTEBHYNRQKWEKU-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.32
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-Bromobenzyloxy)trimethylsilane
CID 598201
4-Bromo-1-fluoro-2-(methoxymethyl)benzene
CID 2769415
[3-(3-Bromophenyl)propoxy](tert-butyl)dimethylsilane
CID 20346533
(1S)-1-(3-Bromo-4-fluorophenyl)ethan-1-ol
CID 25324469
(1R)-1-(3-Bromo-4-fluorophenyl)ethan-1-ol
CID 25324470
1-Bromo-2-fluoro-3-(methoxymethyl)benzene
CID 70660929
(1R)-1-(3-bromo-5-fluorophenyl)ethan-1-ol
CID 79036939
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
[1-(4-Bromophenyl)-2,2-difluoroethenoxy]-trimethylsilane
CID 85820163

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane (CID 20785308) is 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane is CC(O[Si](C)(C)C(C)(C)C)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is CTEBHYNRQKWEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFOSi/c1-10(17-18(5,6)14(2,3)4)11-7-8-13(16)12(15)9-11/h7-10H,1-6H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 333.32 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 20785308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).