2-methylpropanenitrile;tetrachloromethane

C5H7Cl4N — CID 174700163

IUPAC2-methylpropanenitrile;tetrachloromethane
SMILESCC(C)C#N.ClC(Cl)(Cl)Cl
InChIInChI=1S/C4H7N.CCl4/c1-4(2)3-5;2-1(3,4)5/h4H,1-2H3;
InChIKeyYZWMOTAJRHYIRA-UHFFFAOYSA-N
MW222.93 g/mol
LogP3.72
Rot. Bonds

About 2-methylpropanenitrile;tetrachloromethane

2-methylpropanenitrile;tetrachloromethane (PubChem CID 174700163) has the molecular formula C5H7Cl4N and a molecular weight of 222.93 g/mol. Its IUPAC name is 2-methylpropanenitrile;tetrachloromethane.

Molecular Properties

Compound Name2-methylpropanenitrile;tetrachloromethane
PubChem CID174700163
Molecular FormulaC5H7Cl4N
Molecular Weight222.93 g/mol
Exact Mass220.93
IUPAC Name2-methylpropanenitrile;tetrachloromethane
SMILESCC(C)C#N.ClC(Cl)(Cl)Cl
InChIInChI=1S/C4H7N.CCl4/c1-4(2)3-5;2-1(3,4)5/h4H,1-2H3;
InChIKeyYZWMOTAJRHYIRA-UHFFFAOYSA-N
XLogP3.72
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.93
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanenitrile;tetrachloromethane?
The IUPAC name of 2-methylpropanenitrile;tetrachloromethane (CID 174700163) is 2-methylpropanenitrile;tetrachloromethane.
What is the SMILES notation for 2-methylpropanenitrile;tetrachloromethane?
The canonical SMILES for 2-methylpropanenitrile;tetrachloromethane is CC(C)C#N.ClC(Cl)(Cl)Cl.
What is the InChIKey of 2-methylpropanenitrile;tetrachloromethane?
The InChIKey is YZWMOTAJRHYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.CCl4/c1-4(2)3-5;2-1(3,4)5/h4H,1-2H3;.
What are the key properties of 2-methylpropanenitrile;tetrachloromethane?
2-methylpropanenitrile;tetrachloromethane has a molecular weight of 222.93 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanenitrile;tetrachloromethane is sourced from PubChem (CID 174700163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).