2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile

C8H16FNSi — CID 140812585

IUPAC2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile
SMILESCCCC(C#N)C[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-4-5-8(6-10)7-11(2,3)9/h8H,4-5,7H2,1-3H3
InChIKeyJAZWATWLKIYQIU-UHFFFAOYSA-N
MW173.31 g/mol
LogP3.10
Rot. Bonds4

About 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile

2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile (PubChem CID 140812585) has the molecular formula C8H16FNSi and a molecular weight of 173.31 g/mol. Its IUPAC name is 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile.

Molecular Properties

Compound Name2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile
PubChem CID140812585
Molecular FormulaC8H16FNSi
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile
SMILESCCCC(C#N)C[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-4-5-8(6-10)7-11(2,3)9/h8H,4-5,7H2,1-3H3
InChIKeyJAZWATWLKIYQIU-UHFFFAOYSA-N
XLogP3.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 53.10
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 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile 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-[[fluoro(dimethyl)silyl]methyl]pentanenitrile?
The IUPAC name of 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile (CID 140812585) is 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile.
What is the SMILES notation for 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile?
The canonical SMILES for 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile is CCCC(C#N)C[Si](C)(C)F.
What is the InChIKey of 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile?
The InChIKey is JAZWATWLKIYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNSi/c1-4-5-8(6-10)7-11(2,3)9/h8H,4-5,7H2,1-3H3.
What are the key properties of 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile?
2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile has a molecular weight of 173.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[fluoro(dimethyl)silyl]methyl]pentanenitrile is sourced from PubChem (CID 140812585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).