5-bromo-2-fluoro-4-trimethylsilyloxyaniline

C9H13BrFNOSi — CID 167734920

IUPAC5-bromo-2-fluoro-4-trimethylsilyloxyaniline
SMILESC[Si](C)(C)Oc1cc(F)c(N)cc1Br
InChIInChI=1S/C9H13BrFNOSi/c1-14(2,3)13-9-5-7(11)8(12)4-6(9)10/h4-5H,12H2,1-3H3
InChIKeyJMRDUTRYXOWYDX-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.38
Rot. Bonds2

About 5-bromo-2-fluoro-4-trimethylsilyloxyaniline

5-bromo-2-fluoro-4-trimethylsilyloxyaniline (PubChem CID 167734920) has the molecular formula C9H13BrFNOSi and a molecular weight of 278.20 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-trimethylsilyloxyaniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-trimethylsilyloxyaniline
PubChem CID167734920
Molecular FormulaC9H13BrFNOSi
Molecular Weight278.20 g/mol
Exact Mass276.99
IUPAC Name5-bromo-2-fluoro-4-trimethylsilyloxyaniline
SMILESC[Si](C)(C)Oc1cc(F)c(N)cc1Br
InChIInChI=1S/C9H13BrFNOSi/c1-14(2,3)13-9-5-7(11)8(12)4-6(9)10/h4-5H,12H2,1-3H3
InChIKeyJMRDUTRYXOWYDX-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methyl-2-trimethylsilyloxyaniline
CID 167728306
5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
CID 167733328
4-bromo-2-fluoro-5-propoxyaniline
CID 13281431
4-bromo-2,5-difluoroaniline
CID 2773285
4-bromo-2-fluoro-5-(2-methylpropoxy)aniline
CID 139036041
2,5-difluoro-4-methoxyaniline
CID 45090681
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
CID 167732859
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
2-bromo-4-trimethylsilyloxyaniline
CID 130639886
4-bromo-2-fluoro-5-methylaniline;ethane
CID 177009828
2-fluoro-4-methoxy-5-methylaniline
CID 89371124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-trimethylsilyloxyaniline?
The IUPAC name of 5-bromo-2-fluoro-4-trimethylsilyloxyaniline (CID 167734920) is 5-bromo-2-fluoro-4-trimethylsilyloxyaniline.
What is the SMILES notation for 5-bromo-2-fluoro-4-trimethylsilyloxyaniline?
The canonical SMILES for 5-bromo-2-fluoro-4-trimethylsilyloxyaniline is C[Si](C)(C)Oc1cc(F)c(N)cc1Br.
What is the InChIKey of 5-bromo-2-fluoro-4-trimethylsilyloxyaniline?
The InChIKey is JMRDUTRYXOWYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrFNOSi/c1-14(2,3)13-9-5-7(11)8(12)4-6(9)10/h4-5H,12H2,1-3H3.
What are the key properties of 5-bromo-2-fluoro-4-trimethylsilyloxyaniline?
5-bromo-2-fluoro-4-trimethylsilyloxyaniline has a molecular weight of 278.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-trimethylsilyloxyaniline is sourced from PubChem (CID 167734920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).