3-[difluoro(methyl)silyl]-2-methylbutanenitrile

C6H11F2NSi — CID 140812558

IUPAC3-[difluoro(methyl)silyl]-2-methylbutanenitrile
SMILESCC(C#N)C(C)[Si](C)(F)F
InChIInChI=1S/C6H11F2NSi/c1-5(4-9)6(2)10(3,7)8/h5-6H,1-3H3
InChIKeyBYFGEVXOQOQOMF-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.55
Rot. Bonds2

About 3-[difluoro(methyl)silyl]-2-methylbutanenitrile

3-[difluoro(methyl)silyl]-2-methylbutanenitrile (PubChem CID 140812558) has the molecular formula C6H11F2NSi and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]-2-methylbutanenitrile
PubChem CID140812558
Molecular FormulaC6H11F2NSi
Molecular Weight163.24 g/mol
Exact Mass163.06
IUPAC Name3-[difluoro(methyl)silyl]-2-methylbutanenitrile
SMILESCC(C#N)C(C)[Si](C)(F)F
InChIInChI=1S/C6H11F2NSi/c1-5(4-9)6(2)10(3,7)8/h5-6H,1-3H3
InChIKeyBYFGEVXOQOQOMF-UHFFFAOYSA-N
XLogP2.55
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.55
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 3-[difluoro(methyl)silyl]-2-methylbutanenitrile?
The IUPAC name of 3-[difluoro(methyl)silyl]-2-methylbutanenitrile (CID 140812558) is 3-[difluoro(methyl)silyl]-2-methylbutanenitrile.
What is the SMILES notation for 3-[difluoro(methyl)silyl]-2-methylbutanenitrile?
The canonical SMILES for 3-[difluoro(methyl)silyl]-2-methylbutanenitrile is CC(C#N)C(C)[Si](C)(F)F.
What is the InChIKey of 3-[difluoro(methyl)silyl]-2-methylbutanenitrile?
The InChIKey is BYFGEVXOQOQOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NSi/c1-5(4-9)6(2)10(3,7)8/h5-6H,1-3H3.
What are the key properties of 3-[difluoro(methyl)silyl]-2-methylbutanenitrile?
3-[difluoro(methyl)silyl]-2-methylbutanenitrile has a molecular weight of 163.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methyl)silyl]-2-methylbutanenitrile is sourced from PubChem (CID 140812558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).