3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile

C8H16FNSi — CID 140812564

IUPAC3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile
SMILESCCC(C)(CC#N)[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-5-8(2,6-7-10)11(3,4)9/h5-6H2,1-4H3
InChIKeyPTDKIJYFDDADGB-UHFFFAOYSA-N
MW173.31 g/mol
LogP3.24
Rot. Bonds3

About 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile

3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile (PubChem CID 140812564) has the molecular formula C8H16FNSi and a molecular weight of 173.31 g/mol. Its IUPAC name is 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile.

Molecular Properties

Compound Name3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile
PubChem CID140812564
Molecular FormulaC8H16FNSi
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile
SMILESCCC(C)(CC#N)[Si](C)(C)F
InChIInChI=1S/C8H16FNSi/c1-5-8(2,6-7-10)11(3,4)9/h5-6H2,1-4H3
InChIKeyPTDKIJYFDDADGB-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 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile?
The IUPAC name of 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile (CID 140812564) is 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile.
What is the SMILES notation for 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile?
The canonical SMILES for 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile is CCC(C)(CC#N)[Si](C)(C)F.
What is the InChIKey of 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile?
The InChIKey is PTDKIJYFDDADGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNSi/c1-5-8(2,6-7-10)11(3,4)9/h5-6H2,1-4H3.
What are the key properties of 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile?
3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile 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 3-[fluoro(dimethyl)silyl]-3-methylpentanenitrile is sourced from PubChem (CID 140812564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).