5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid

C10H12BrFO3Si — CID 167733328

IUPAC5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1cc(F)c(Br)cc1C(=O)O
InChIInChI=1S/C10H12BrFO3Si/c1-16(2,3)15-9-5-8(12)7(11)4-6(9)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyILKMEOYOHMDIPU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.50
Rot. Bonds3

About 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid

5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid (PubChem CID 167733328) has the molecular formula C10H12BrFO3Si and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
PubChem CID167733328
Molecular FormulaC10H12BrFO3Si
Molecular Weight307.19 g/mol
Exact Mass305.97
IUPAC Name5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1cc(F)c(Br)cc1C(=O)O
InChIInChI=1S/C10H12BrFO3Si/c1-16(2,3)15-9-5-8(12)7(11)4-6(9)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyILKMEOYOHMDIPU-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
CID 167732859
2,4-difluoro-6-trimethylsilyloxybenzoic acid
CID 167731600
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
CID 146196960
5-methylsulfanyl-2-trimethylsilyloxybenzoic acid
CID 167737530
4-chloro-5-fluorosulfonyl-2-trimethylsilyloxybenzoic acid
CID 167730264
5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402
5-bromo-2-fluoro-4-trimethylsilyloxyaniline
CID 167734920
4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid
CID 167723816
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid?
The IUPAC name of 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid (CID 167733328) is 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid?
The canonical SMILES for 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1cc(F)c(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid?
The InChIKey is ILKMEOYOHMDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3Si/c1-16(2,3)15-9-5-8(12)7(11)4-6(9)10(13)14/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid?
5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid has a molecular weight of 307.19 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167733328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).