2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile

C11H14BrNOSi — CID 24798836

IUPAC2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNOSi/c1-15(2,3)14-11(8-13)9-4-6-10(12)7-5-9/h4-7,11H,1-3H3
InChIKeyCOIHUZYBAZYBCK-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile

2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 24798836) has the molecular formula C11H14BrNOSi and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID24798836
Molecular FormulaC11H14BrNOSi
Molecular Weight284.23 g/mol
Exact Mass283.00
IUPAC Name2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNOSi/c1-15(2,3)14-11(8-13)9-4-6-10(12)7-5-9/h4-7,11H,1-3H3
InChIKeyCOIHUZYBAZYBCK-UHFFFAOYSA-N
XLogP3.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.87
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

(4-Bromobenzyloxy)trimethylsilane
CID 598201
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
(2R)-(4-Bromophenyl)(hydroxy)acetonitrile
CID 60145964
3-Hydroxy-2-methylene-3-(4-bromophenyl)propanenitrile
CID 11322351
(2S)-2-(4-bromophenyl)-2-hydroxyacetonitrile
CID 11858735
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040
(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-phenylacetonitrile
CID 5325032
Silane, [[1-(4-bromophenyl)ethenyl]oxy]trimethyl-
CID 10355809
2-[Tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
CID 10610516
(4-Bromophenyl)methoxy-triethylsilane
CID 10756691

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile (CID 24798836) is 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is COIHUZYBAZYBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOSi/c1-15(2,3)14-11(8-13)9-4-6-10(12)7-5-9/h4-7,11H,1-3H3.
What are the key properties of 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 284.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 24798836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).