3-chloro-3-dichlorosilyl-2-methylpropanenitrile

C4H6Cl3NSi — CID 173223760

IUPAC3-chloro-3-dichlorosilyl-2-methylpropanenitrile
SMILESCC(C#N)C(Cl)[SiH](Cl)Cl
InChIInChI=1S/C4H6Cl3NSi/c1-3(2-8)4(5)9(6)7/h3-4,9H,1H3
InChIKeyBVTOIGUXLXPNQZ-UHFFFAOYSA-N
MW202.54 g/mol
LogP1.99
Rot. Bonds2

About 3-chloro-3-dichlorosilyl-2-methylpropanenitrile

3-chloro-3-dichlorosilyl-2-methylpropanenitrile (PubChem CID 173223760) has the molecular formula C4H6Cl3NSi and a molecular weight of 202.54 g/mol. Its IUPAC name is 3-chloro-3-dichlorosilyl-2-methylpropanenitrile.

Molecular Properties

Compound Name3-chloro-3-dichlorosilyl-2-methylpropanenitrile
PubChem CID173223760
Molecular FormulaC4H6Cl3NSi
Molecular Weight202.54 g/mol
Exact Mass200.93
IUPAC Name3-chloro-3-dichlorosilyl-2-methylpropanenitrile
SMILESCC(C#N)C(Cl)[SiH](Cl)Cl
InChIInChI=1S/C4H6Cl3NSi/c1-3(2-8)4(5)9(6)7/h3-4,9H,1H3
InChIKeyBVTOIGUXLXPNQZ-UHFFFAOYSA-N
XLogP1.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.54
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 3-chloro-3-dichlorosilyl-2-methylpropanenitrile?
The IUPAC name of 3-chloro-3-dichlorosilyl-2-methylpropanenitrile (CID 173223760) is 3-chloro-3-dichlorosilyl-2-methylpropanenitrile.
What is the SMILES notation for 3-chloro-3-dichlorosilyl-2-methylpropanenitrile?
The canonical SMILES for 3-chloro-3-dichlorosilyl-2-methylpropanenitrile is CC(C#N)C(Cl)[SiH](Cl)Cl.
What is the InChIKey of 3-chloro-3-dichlorosilyl-2-methylpropanenitrile?
The InChIKey is BVTOIGUXLXPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl3NSi/c1-3(2-8)4(5)9(6)7/h3-4,9H,1H3.
What are the key properties of 3-chloro-3-dichlorosilyl-2-methylpropanenitrile?
3-chloro-3-dichlorosilyl-2-methylpropanenitrile has a molecular weight of 202.54 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-dichlorosilyl-2-methylpropanenitrile is sourced from PubChem (CID 173223760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).