3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile

C10H6Cl3NO — CID 79168432

IUPAC3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile
SMILESN#Cc1ccc(OCC(Cl)=CCl)c(Cl)c1
InChIInChI=1S/C10H6Cl3NO/c11-4-8(12)6-15-10-2-1-7(5-14)3-9(10)13/h1-4H,6H2
InChIKeyIQKUAVFVNOJOKF-UHFFFAOYSA-N
MW262.52 g/mol
LogP3.91
Rot. Bonds3

About 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile

3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile (PubChem CID 79168432) has the molecular formula C10H6Cl3NO and a molecular weight of 262.52 g/mol. Its IUPAC name is 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile
PubChem CID79168432
Molecular FormulaC10H6Cl3NO
Molecular Weight262.52 g/mol
Exact Mass260.95
IUPAC Name3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile
SMILESN#Cc1ccc(OCC(Cl)=CCl)c(Cl)c1
InChIInChI=1S/C10H6Cl3NO/c11-4-8(12)6-15-10-2-1-7(5-14)3-9(10)13/h1-4H,6H2
InChIKeyIQKUAVFVNOJOKF-UHFFFAOYSA-N
XLogP3.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-4-[2-(2-methylphenyl)-2-oxoethoxy]benzonitrile
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3-chloro-4-(2-hydroxy-2-methylbutoxy)benzonitrile
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2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
3-chloro-4-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethoxy]benzonitrile
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2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
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CID 8976368

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile?
The IUPAC name of 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile (CID 79168432) is 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile.
What is the SMILES notation for 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile?
The canonical SMILES for 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile is N#Cc1ccc(OCC(Cl)=CCl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile?
The InChIKey is IQKUAVFVNOJOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NO/c11-4-8(12)6-15-10-2-1-7(5-14)3-9(10)13/h1-4H,6H2.
What are the key properties of 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile?
3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile has a molecular weight of 262.52 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile is sourced from PubChem (CID 79168432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).