(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride

C9H10Cl3N — CID 171196615

IUPAC(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1[C@@H]1CCN1
InChIInChI=1S/C9H9Cl2N.ClH/c10-6-2-1-3-7(11)9(6)8-4-5-12-8;/h1-3,8,12H,4-5H2;1H/t8-;/m0./s1
InChIKeyFPABDISYPPPKMC-QRPNPIFTSA-N
MW238.54 g/mol
LogP3.45
Rot. Bonds1

About (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride

(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride (PubChem CID 171196615) has the molecular formula C9H10Cl3N and a molecular weight of 238.54 g/mol. Its IUPAC name is (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
PubChem CID171196615
Molecular FormulaC9H10Cl3N
Molecular Weight238.54 g/mol
Exact Mass236.99
IUPAC Name(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1[C@@H]1CCN1
InChIInChI=1S/C9H9Cl2N.ClH/c10-6-2-1-3-7(11)9(6)8-4-5-12-8;/h1-3,8,12H,4-5H2;1H/t8-;/m0./s1
InChIKeyFPABDISYPPPKMC-QRPNPIFTSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride?
The IUPAC name of (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride (CID 171196615) is (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride?
The canonical SMILES for (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride is Cl.Clc1cccc(Cl)c1[C@@H]1CCN1.
What is the InChIKey of (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride?
The InChIKey is FPABDISYPPPKMC-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H9Cl2N.ClH/c10-6-2-1-3-7(11)9(6)8-4-5-12-8;/h1-3,8,12H,4-5H2;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride?
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride has a molecular weight of 238.54 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride is sourced from PubChem (CID 171196615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).