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

C8H16FNSi — CID 140812531

IUPAC4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CC[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-8(2,7-10)5-6-11(3,4)9/h5-6H2,1-4H3
InChIKeyPSFFGEROONURKX-UHFFFAOYSA-N
MW173.31 g/mol
LogP3.10
Rot. Bonds3

About 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile

4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile (PubChem CID 140812531) has the molecular formula C8H16FNSi and a molecular weight of 173.31 g/mol. Its IUPAC name is 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile
PubChem CID140812531
Molecular FormulaC8H16FNSi
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CC[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-8(2,7-10)5-6-11(3,4)9/h5-6H2,1-4H3
InChIKeyPSFFGEROONURKX-UHFFFAOYSA-N
XLogP3.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile (CID 140812531) is 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile is CC(C)(C#N)CC[Si](C)(C)F.
What is the InChIKey of 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile?
The InChIKey is PSFFGEROONURKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNSi/c1-8(2,7-10)5-6-11(3,4)9/h5-6H2,1-4H3.
What are the key properties of 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile?
4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile has a molecular weight of 173.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(dimethyl)silyl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 140812531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).