5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile

C9H18FNSi — CID 140812620

IUPAC5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCC[Si](C)(C)F
InChIInChI=1S/C9H18FNSi/c1-9(2,8-11)6-5-7-12(3,4)10/h5-7H2,1-4H3
InChIKeyOMUNENZWPFHWLL-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.49
Rot. Bonds4

About 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile

5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile (PubChem CID 140812620) has the molecular formula C9H18FNSi and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile
PubChem CID140812620
Molecular FormulaC9H18FNSi
Molecular Weight187.33 g/mol
Exact Mass187.12
IUPAC Name5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCC[Si](C)(C)F
InChIInChI=1S/C9H18FNSi/c1-9(2,8-11)6-5-7-12(3,4)10/h5-7H2,1-4H3
InChIKeyOMUNENZWPFHWLL-UHFFFAOYSA-N
XLogP3.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile 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 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile (CID 140812620) is 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCC[Si](C)(C)F.
What is the InChIKey of 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile?
The InChIKey is OMUNENZWPFHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNSi/c1-9(2,8-11)6-5-7-12(3,4)10/h5-7H2,1-4H3.
What are the key properties of 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile?
5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile has a molecular weight of 187.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 140812620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).