2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile

C9H15FN2Si — CID 140812632

IUPAC2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile
SMILESC[Si](C)(F)CCCCC(C#N)C#N
InChIInChI=1S/C9H15FN2Si/c1-13(2,10)6-4-3-5-9(7-11)8-12/h9H,3-6H2,1-2H3
InChIKeyLLKUJTCJDDVSFO-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.99
Rot. Bonds5

About 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile

2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile (PubChem CID 140812632) has the molecular formula C9H15FN2Si and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile.

Molecular Properties

Compound Name2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile
PubChem CID140812632
Molecular FormulaC9H15FN2Si
Molecular Weight198.32 g/mol
Exact Mass198.10
IUPAC Name2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile
SMILESC[Si](C)(F)CCCCC(C#N)C#N
InChIInChI=1S/C9H15FN2Si/c1-13(2,10)6-4-3-5-9(7-11)8-12/h9H,3-6H2,1-2H3
InChIKeyLLKUJTCJDDVSFO-UHFFFAOYSA-N
XLogP2.99
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile?
The IUPAC name of 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile (CID 140812632) is 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile.
What is the SMILES notation for 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile?
The canonical SMILES for 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile is C[Si](C)(F)CCCCC(C#N)C#N.
What is the InChIKey of 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile?
The InChIKey is LLKUJTCJDDVSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2Si/c1-13(2,10)6-4-3-5-9(7-11)8-12/h9H,3-6H2,1-2H3.
What are the key properties of 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile?
2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile has a molecular weight of 198.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[fluoro(dimethyl)silyl]butyl]propanedinitrile is sourced from PubChem (CID 140812632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).