3-[difluoro(methyl)silyl]-4-methylpentanenitrile

C7H13F2NSi — CID 140812526

IUPAC3-[difluoro(methyl)silyl]-4-methylpentanenitrile
SMILESCC(C)C(CC#N)[Si](C)(F)F
InChIInChI=1S/C7H13F2NSi/c1-6(2)7(4-5-10)11(3,8)9/h6-7H,4H2,1-3H3
InChIKeyXGFNYXDXRZBTKP-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.94
Rot. Bonds3

About 3-[difluoro(methyl)silyl]-4-methylpentanenitrile

3-[difluoro(methyl)silyl]-4-methylpentanenitrile (PubChem CID 140812526) has the molecular formula C7H13F2NSi and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]-4-methylpentanenitrile.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]-4-methylpentanenitrile
PubChem CID140812526
Molecular FormulaC7H13F2NSi
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-[difluoro(methyl)silyl]-4-methylpentanenitrile
SMILESCC(C)C(CC#N)[Si](C)(F)F
InChIInChI=1S/C7H13F2NSi/c1-6(2)7(4-5-10)11(3,8)9/h6-7H,4H2,1-3H3
InChIKeyXGFNYXDXRZBTKP-UHFFFAOYSA-N
XLogP2.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.94
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]-4-methylpentanenitrile?
The IUPAC name of 3-[difluoro(methyl)silyl]-4-methylpentanenitrile (CID 140812526) is 3-[difluoro(methyl)silyl]-4-methylpentanenitrile.
What is the SMILES notation for 3-[difluoro(methyl)silyl]-4-methylpentanenitrile?
The canonical SMILES for 3-[difluoro(methyl)silyl]-4-methylpentanenitrile is CC(C)C(CC#N)[Si](C)(F)F.
What is the InChIKey of 3-[difluoro(methyl)silyl]-4-methylpentanenitrile?
The InChIKey is XGFNYXDXRZBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NSi/c1-6(2)7(4-5-10)11(3,8)9/h6-7H,4H2,1-3H3.
What are the key properties of 3-[difluoro(methyl)silyl]-4-methylpentanenitrile?
3-[difluoro(methyl)silyl]-4-methylpentanenitrile has a molecular weight of 177.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methyl)silyl]-4-methylpentanenitrile is sourced from PubChem (CID 140812526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).