1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone

C11H14BrFO2Si — CID 167732859

IUPAC1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cc(F)c(Br)cc1O[Si](C)(C)C
InChIInChI=1S/C11H14BrFO2Si/c1-7(14)8-5-10(13)9(12)6-11(8)15-16(2,3)4/h5-6H,1-4H3
InChIKeyWINHHZVVAAPAGW-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone

1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone (PubChem CID 167732859) has the molecular formula C11H14BrFO2Si and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
PubChem CID167732859
Molecular FormulaC11H14BrFO2Si
Molecular Weight305.22 g/mol
Exact Mass303.99
IUPAC Name1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cc(F)c(Br)cc1O[Si](C)(C)C
InChIInChI=1S/C11H14BrFO2Si/c1-7(14)8-5-10(13)9(12)6-11(8)15-16(2,3)4/h5-6H,1-4H3
InChIKeyWINHHZVVAAPAGW-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.00
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

5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
CID 167733328
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 155744413
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
2,4-difluoro-6-trimethylsilyloxybenzoic acid
CID 167731600
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
5-bromo-2-fluoro-4-trimethylsilyloxyaniline
CID 167734920

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone (CID 167732859) is 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone is CC(=O)c1cc(F)c(Br)cc1O[Si](C)(C)C.
What is the InChIKey of 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone?
The InChIKey is WINHHZVVAAPAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2Si/c1-7(14)8-5-10(13)9(12)6-11(8)15-16(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone?
1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone has a molecular weight of 305.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone is sourced from PubChem (CID 167732859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).