3-(3,4-dichlorophenoxy)azetidine;hydrochloride

C9H10Cl3NO — CID 53439767

IUPAC3-(3,4-dichlorophenoxy)azetidine;hydrochloride
SMILESCl.Clc1ccc(OC2CNC2)cc1Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H
InChIKeyWCGIRDBDXDCUDD-UHFFFAOYSA-N
MW254.54 g/mol
LogP2.77
Rot. Bonds2

About 3-(3,4-dichlorophenoxy)azetidine;hydrochloride

3-(3,4-dichlorophenoxy)azetidine;hydrochloride (PubChem CID 53439767) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)azetidine;hydrochloride
PubChem CID53439767
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name3-(3,4-dichlorophenoxy)azetidine;hydrochloride
SMILESCl.Clc1ccc(OC2CNC2)cc1Cl
InChIInChI=1S/C9H9Cl2NO.ClH/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H
InChIKeyWCGIRDBDXDCUDD-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)azetidine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenoxy)azetidine;hydrochloride (CID 53439767) is 3-(3,4-dichlorophenoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenoxy)azetidine;hydrochloride is Cl.Clc1ccc(OC2CNC2)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenoxy)azetidine;hydrochloride?
The InChIKey is WCGIRDBDXDCUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO.ClH/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H.
What are the key properties of 3-(3,4-dichlorophenoxy)azetidine;hydrochloride?
3-(3,4-dichlorophenoxy)azetidine;hydrochloride has a molecular weight of 254.54 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)azetidine;hydrochloride is sourced from PubChem (CID 53439767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).