(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile

C13H18FNO2Si — CID 125466839

IUPAC(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESCCOc1ccc(F)cc1[C@@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C13H18FNO2Si/c1-5-16-12-7-6-10(14)8-11(12)13(9-15)17-18(2,3)4/h6-8,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyJGGLSWGUZCMGTC-CYBMUJFWSA-N
MW267.38 g/mol
LogP3.64
Rot. Bonds5

About (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile

(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 125466839) has the molecular formula C13H18FNO2Si and a molecular weight of 267.38 g/mol. Its IUPAC name is (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID125466839
Molecular FormulaC13H18FNO2Si
Molecular Weight267.38 g/mol
Exact Mass267.11
IUPAC Name(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESCCOc1ccc(F)cc1[C@@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C13H18FNO2Si/c1-5-16-12-7-6-10(14)8-11(12)13(9-15)17-18(2,3)4/h6-8,13H,5H2,1-4H3/t13-/m1/s1
InChIKeyJGGLSWGUZCMGTC-CYBMUJFWSA-N
XLogP3.64
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 124630227
2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
CID 66071519
2-(2,4,5-trimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 14566879
2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile
CID 129178506
2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-(2-ethoxy-5-fluorophenyl)butane-1,2,4-triol
CID 171872620
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
2-(3,4-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 13439664
(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171868483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile (CID 125466839) is (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile is CCOc1ccc(F)cc1[C@@H](C#N)O[Si](C)(C)C.
What is the InChIKey of (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is JGGLSWGUZCMGTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18FNO2Si/c1-5-16-12-7-6-10(14)8-11(12)13(9-15)17-18(2,3)4/h6-8,13H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile?
(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 267.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 125466839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).