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

C7H14FNSi — CID 140812533

IUPAC2-[[fluoro(dimethyl)silyl]methyl]butanenitrile
SMILESCCC(C#N)C[Si](C)(C)F
InChIInChI=1S/C7H14FNSi/c1-4-7(5-9)6-10(2,3)8/h7H,4,6H2,1-3H3
InChIKeyIJQIQXLCFBGGBL-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.71
Rot. Bonds3

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

2-[[fluoro(dimethyl)silyl]methyl]butanenitrile (PubChem CID 140812533) has the molecular formula C7H14FNSi and a molecular weight of 159.28 g/mol. Its IUPAC name is 2-[[fluoro(dimethyl)silyl]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[fluoro(dimethyl)silyl]methyl]butanenitrile
PubChem CID140812533
Molecular FormulaC7H14FNSi
Molecular Weight159.28 g/mol
Exact Mass159.09
IUPAC Name2-[[fluoro(dimethyl)silyl]methyl]butanenitrile
SMILESCCC(C#N)C[Si](C)(C)F
InChIInChI=1S/C7H14FNSi/c1-4-7(5-9)6-10(2,3)8/h7H,4,6H2,1-3H3
InChIKeyIJQIQXLCFBGGBL-UHFFFAOYSA-N
XLogP2.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.71
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-[[fluoro(dimethyl)silyl]methyl]butanenitrile?
The IUPAC name of 2-[[fluoro(dimethyl)silyl]methyl]butanenitrile (CID 140812533) is 2-[[fluoro(dimethyl)silyl]methyl]butanenitrile.
What is the SMILES notation for 2-[[fluoro(dimethyl)silyl]methyl]butanenitrile?
The canonical SMILES for 2-[[fluoro(dimethyl)silyl]methyl]butanenitrile is CCC(C#N)C[Si](C)(C)F.
What is the InChIKey of 2-[[fluoro(dimethyl)silyl]methyl]butanenitrile?
The InChIKey is IJQIQXLCFBGGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNSi/c1-4-7(5-9)6-10(2,3)8/h7H,4,6H2,1-3H3.
What are the key properties of 2-[[fluoro(dimethyl)silyl]methyl]butanenitrile?
2-[[fluoro(dimethyl)silyl]methyl]butanenitrile has a molecular weight of 159.28 g/mol, XLogP of 2.71, 3 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]butanenitrile is sourced from PubChem (CID 140812533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).