3-(3-chlorophenyl)azetidine;hydrochloride

C9H11Cl2N — CID 72698856

IUPAC3-(3-chlorophenyl)azetidine;hydrochloride
SMILESCl.Clc1cccc(C2CNC2)c1
InChIInChI=1S/C9H10ClN.ClH/c10-9-3-1-2-7(4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
InChIKeySTLJDQXZHZVLKJ-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.45
Rot. Bonds1

About 3-(3-chlorophenyl)azetidine;hydrochloride

3-(3-chlorophenyl)azetidine;hydrochloride (PubChem CID 72698856) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 3-(3-chlorophenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)azetidine;hydrochloride
PubChem CID72698856
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name3-(3-chlorophenyl)azetidine;hydrochloride
SMILESCl.Clc1cccc(C2CNC2)c1
InChIInChI=1S/C9H10ClN.ClH/c10-9-3-1-2-7(4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
InChIKeySTLJDQXZHZVLKJ-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)azetidine;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)azetidine;hydrochloride (CID 72698856) is 3-(3-chlorophenyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)azetidine;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)azetidine;hydrochloride is Cl.Clc1cccc(C2CNC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)azetidine;hydrochloride?
The InChIKey is STLJDQXZHZVLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-9-3-1-2-7(4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H.
What are the key properties of 3-(3-chlorophenyl)azetidine;hydrochloride?
3-(3-chlorophenyl)azetidine;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)azetidine;hydrochloride is sourced from PubChem (CID 72698856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).