4-(2,4-dichlorophenyl)-2-methylbutanenitrile

C11H11Cl2N — CID 57027165

IUPAC4-(2,4-dichlorophenyl)-2-methylbutanenitrile
SMILESCC(C#N)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N/c1-8(7-14)2-3-9-4-5-10(12)6-11(9)13/h4-6,8H,2-3H2,1H3
InChIKeyYUCGEFMWVJLVHC-UHFFFAOYSA-N
MW228.12 g/mol
LogP4.09
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-2-methylbutanenitrile

4-(2,4-dichlorophenyl)-2-methylbutanenitrile (PubChem CID 57027165) has the molecular formula C11H11Cl2N and a molecular weight of 228.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-methylbutanenitrile
PubChem CID57027165
Molecular FormulaC11H11Cl2N
Molecular Weight228.12 g/mol
Exact Mass227.03
IUPAC Name4-(2,4-dichlorophenyl)-2-methylbutanenitrile
SMILESCC(C#N)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N/c1-8(7-14)2-3-9-4-5-10(12)6-11(9)13/h4-6,8H,2-3H2,1H3
InChIKeyYUCGEFMWVJLVHC-UHFFFAOYSA-N
XLogP4.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)hexan-3-amine
CID 43370461
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
3-(5-chloro-2-methylphenyl)-2-methylpropanenitrile
CID 83637230
2-cyano-N-[2-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 68726093
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
CID 83928392
5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 65303796
(2R)-2-(4-cyanophenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 9246467
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-methylbutanenitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-methylbutanenitrile (CID 57027165) is 4-(2,4-dichlorophenyl)-2-methylbutanenitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-methylbutanenitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-methylbutanenitrile is CC(C#N)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-methylbutanenitrile?
The InChIKey is YUCGEFMWVJLVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N/c1-8(7-14)2-3-9-4-5-10(12)6-11(9)13/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-2-methylbutanenitrile?
4-(2,4-dichlorophenyl)-2-methylbutanenitrile has a molecular weight of 228.12 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-methylbutanenitrile is sourced from PubChem (CID 57027165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).