2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile

C8H16FNSi — CID 140812654

IUPAC2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile
SMILESCCC(C#N)(CC)[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-5-8(6-2,7-10)11(3,4)9/h5-6H2,1-4H3
InChIKeyLYIWRULWFFDKAP-UHFFFAOYSA-N
MW173.31 g/mol
LogP3.24
Rot. Bonds3

About 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile

2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile (PubChem CID 140812654) has the molecular formula C8H16FNSi and a molecular weight of 173.31 g/mol. Its IUPAC name is 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile
PubChem CID140812654
Molecular FormulaC8H16FNSi
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile
SMILESCCC(C#N)(CC)[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-5-8(6-2,7-10)11(3,4)9/h5-6H2,1-4H3
InChIKeyLYIWRULWFFDKAP-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile?
The IUPAC name of 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile (CID 140812654) is 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile.
What is the SMILES notation for 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile?
The canonical SMILES for 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile is CCC(C#N)(CC)[Si](C)(C)F.
What is the InChIKey of 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile?
The InChIKey is LYIWRULWFFDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNSi/c1-5-8(6-2,7-10)11(3,4)9/h5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile?
2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile has a molecular weight of 173.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[fluoro(dimethyl)silyl]butanenitrile is sourced from PubChem (CID 140812654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).