2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile

C8H16FNSi — CID 140812651

IUPAC2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile
SMILESCC(C)C(C)(C#N)[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-7(2)8(3,6-10)11(4,5)9/h7H,1-5H3
InChIKeyDAGJLSLCIBIBAE-UHFFFAOYSA-N
MW173.31 g/mol
LogP3.10
Rot. Bonds2

About 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile

2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile (PubChem CID 140812651) has the molecular formula C8H16FNSi and a molecular weight of 173.31 g/mol. Its IUPAC name is 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile
PubChem CID140812651
Molecular FormulaC8H16FNSi
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile
SMILESCC(C)C(C)(C#N)[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-7(2)8(3,6-10)11(4,5)9/h7H,1-5H3
InChIKeyDAGJLSLCIBIBAE-UHFFFAOYSA-N
XLogP3.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

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Related Compounds

4-[Fluoro(dimethyl)silyl]-2-methylbutanenitrile
CID 123719387
4-[Fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile
CID 140812531
2-[[Fluoro(dimethyl)silyl]methyl]butanenitrile
CID 140812533
4-[Fluoro(dimethyl)silyl]-3-methylpentanenitrile
CID 140812539
3-[Fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile
CID 140812545
3-[Difluoro(methyl)silyl]-2,3-dimethylbutanenitrile
CID 140812556
4-[Fluoro(dimethyl)silyl]-3-methylbutanenitrile
CID 140812557
3-[Difluoro(methyl)silyl]-2-methylbutanenitrile
CID 140812558
3-[[Fluoro(dimethyl)silyl]methyl]pentanenitrile
CID 140812563
3-[Fluoro(dimethyl)silyl]-3-methylpentanenitrile
CID 140812564
2-[Fluoro(dimethyl)silyl]-3-methylbutanenitrile
CID 140812566
5-[Fluoro(dimethyl)silyl]-4-methylpentanenitrile
CID 140812574

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile?
The IUPAC name of 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile (CID 140812651) is 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile.
What is the SMILES notation for 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile?
The canonical SMILES for 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile is CC(C)C(C)(C#N)[Si](C)(C)F.
What is the InChIKey of 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile?
The InChIKey is DAGJLSLCIBIBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNSi/c1-7(2)8(3,6-10)11(4,5)9/h7H,1-5H3.
What are the key properties of 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile?
2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile has a molecular weight of 173.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(dimethyl)silyl]-2,3-dimethylbutanenitrile is sourced from PubChem (CID 140812651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).