5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile

C8H16FNSi — CID 140812629

IUPAC5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile
SMILESCC(C#N)CCC[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-8(7-10)5-4-6-11(2,3)9/h8H,4-6H2,1-3H3
InChIKeyVSXAOQKRQUTGHS-UHFFFAOYSA-N
MW173.31 g/mol
LogP3.10
Rot. Bonds4

About 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile

5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile (PubChem CID 140812629) has the molecular formula C8H16FNSi and a molecular weight of 173.31 g/mol. Its IUPAC name is 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile.

Molecular Properties

Compound Name5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile
PubChem CID140812629
Molecular FormulaC8H16FNSi
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile
SMILESCC(C#N)CCC[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-8(7-10)5-4-6-11(2,3)9/h8H,4-6H2,1-3H3
InChIKeyVSXAOQKRQUTGHS-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile?
The IUPAC name of 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile (CID 140812629) is 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile.
What is the SMILES notation for 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile?
The canonical SMILES for 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile is CC(C#N)CCC[Si](C)(C)F.
What is the InChIKey of 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile?
The InChIKey is VSXAOQKRQUTGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNSi/c1-8(7-10)5-4-6-11(2,3)9/h8H,4-6H2,1-3H3.
What are the key properties of 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile?
5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile 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 5-[fluoro(dimethyl)silyl]-2-methylpentanenitrile is sourced from PubChem (CID 140812629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).