2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile

C12H16FNOSi — CID 11149090

IUPAC2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOSi/c1-12(9-14,15-16(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3
InChIKeyQQTRPUFVAWOKNG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.42
Rot. Bonds3

About 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile

2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 11149090) has the molecular formula C12H16FNOSi and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
PubChem CID11149090
Molecular FormulaC12H16FNOSi
Molecular Weight237.35 g/mol
Exact Mass237.10
IUPAC Name2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOSi/c1-12(9-14,15-16(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3
InChIKeyQQTRPUFVAWOKNG-UHFFFAOYSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile (CID 11149090) is 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile is CC(C#N)(O[Si](C)(C)C)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is QQTRPUFVAWOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOSi/c1-12(9-14,15-16(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 237.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 11149090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).