(2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile

C11H14BrNOSi — CID 11687813

IUPAC(2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@H](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/t11-/m1/s1
InChIKeyCOIHUZYBAZYBCK-LLVKDONJSA-N
MW284.23 g/mol
LogP3.87
Rot. Bonds3

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

(2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 11687813) has the molecular formula C11H14BrNOSi and a molecular weight of 284.23 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID11687813
Molecular FormulaC11H14BrNOSi
Molecular Weight284.23 g/mol
Exact Mass283.00
IUPAC Name(2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)O[C@H](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/t11-/m1/s1
InChIKeyCOIHUZYBAZYBCK-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile (CID 11687813) is (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)O[C@H](C#N)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is COIHUZYBAZYBCK-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile?
(2S)-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 (2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11687813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).