3-(3,4-dichlorophenoxy)azetidine

C9H9Cl2NO — CID 11148664

IUPAC3-(3,4-dichlorophenoxy)azetidine
SMILESClc1ccc(OC2CNC2)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2
InChIKeyMRTKDTHRKQRAKJ-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.34
Rot. Bonds2

About 3-(3,4-dichlorophenoxy)azetidine

3-(3,4-dichlorophenoxy)azetidine (PubChem CID 11148664) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)azetidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)azetidine
PubChem CID11148664
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name3-(3,4-dichlorophenoxy)azetidine
SMILESClc1ccc(OC2CNC2)cc1Cl
InChIInChI=1S/C9H9Cl2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2
InChIKeyMRTKDTHRKQRAKJ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.34
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?
The IUPAC name of 3-(3,4-dichlorophenoxy)azetidine (CID 11148664) is 3-(3,4-dichlorophenoxy)azetidine.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)azetidine?
The canonical SMILES for 3-(3,4-dichlorophenoxy)azetidine is Clc1ccc(OC2CNC2)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenoxy)azetidine?
The InChIKey is MRTKDTHRKQRAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-8-2-1-6(3-9(8)11)13-7-4-12-5-7/h1-3,7,12H,4-5H2.
What are the key properties of 3-(3,4-dichlorophenoxy)azetidine?
3-(3,4-dichlorophenoxy)azetidine has a molecular weight of 218.08 g/mol, XLogP of 2.34, 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 is sourced from PubChem (CID 11148664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).