2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile

C9H15FN2Si — CID 140812615

IUPAC2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile
SMILESCC(C#N)(C#N)CCC[Si](C)(C)F
InChIInChI=1S/C9H15FN2Si/c1-9(7-11,8-12)5-4-6-13(2,3)10/h4-6H2,1-3H3
InChIKeyYRFUFOVWIZCNDT-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.99
Rot. Bonds4

About 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile

2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile (PubChem CID 140812615) has the molecular formula C9H15FN2Si and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile
PubChem CID140812615
Molecular FormulaC9H15FN2Si
Molecular Weight198.32 g/mol
Exact Mass198.10
IUPAC Name2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile
SMILESCC(C#N)(C#N)CCC[Si](C)(C)F
InChIInChI=1S/C9H15FN2Si/c1-9(7-11,8-12)5-4-6-13(2,3)10/h4-6H2,1-3H3
InChIKeyYRFUFOVWIZCNDT-UHFFFAOYSA-N
XLogP2.99
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile 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-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile?
The IUPAC name of 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile (CID 140812615) is 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile.
What is the SMILES notation for 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile?
The canonical SMILES for 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile is CC(C#N)(C#N)CCC[Si](C)(C)F.
What is the InChIKey of 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile?
The InChIKey is YRFUFOVWIZCNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2Si/c1-9(7-11,8-12)5-4-6-13(2,3)10/h4-6H2,1-3H3.
What are the key properties of 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile?
2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile has a molecular weight of 198.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[fluoro(dimethyl)silyl]propyl]-2-methylpropanedinitrile is sourced from PubChem (CID 140812615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).