1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one

C12H16BrFO2Si — CID 167738210

IUPAC1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Br)cc(F)c1O[Si](C)(C)C
InChIInChI=1S/C12H16BrFO2Si/c1-5-11(15)9-6-8(13)7-10(14)12(9)16-17(2,3)4/h6-7H,5H2,1-4H3
InChIKeyJLGXVTZBGGYFAK-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.39
Rot. Bonds4

About 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one

1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one (PubChem CID 167738210) has the molecular formula C12H16BrFO2Si and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one
PubChem CID167738210
Molecular FormulaC12H16BrFO2Si
Molecular Weight319.25 g/mol
Exact Mass318.01
IUPAC Name1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Br)cc(F)c1O[Si](C)(C)C
InChIInChI=1S/C12H16BrFO2Si/c1-5-11(15)9-6-8(13)7-10(14)12(9)16-17(2,3)4/h6-7H,5H2,1-4H3
InChIKeyJLGXVTZBGGYFAK-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one?
The IUPAC name of 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one (CID 167738210) is 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one is CCC(=O)c1cc(Br)cc(F)c1O[Si](C)(C)C.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one?
The InChIKey is JLGXVTZBGGYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO2Si/c1-5-11(15)9-6-8(13)7-10(14)12(9)16-17(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one?
1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one has a molecular weight of 319.25 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-trimethylsilyloxyphenyl)propan-1-one is sourced from PubChem (CID 167738210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).