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

C10H12Cl3NO — CID 46735719

IUPAC3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc(OC2CCNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO.ClH/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKeySHIHUVDMFXISMP-UHFFFAOYSA-N
MW268.57 g/mol
LogP3.16
Rot. Bonds2

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

3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride (PubChem CID 46735719) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride
PubChem CID46735719
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Name3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride
SMILESCl.Clc1ccc(OC2CCNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO.ClH/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKeySHIHUVDMFXISMP-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 53.16
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)pyrrolidine;hydrochloride?
The IUPAC name of 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride (CID 46735719) is 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride is Cl.Clc1ccc(OC2CCNC2)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride?
The InChIKey is SHIHUVDMFXISMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO.ClH/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H.
What are the key properties of 3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride?
3-(3,4-dichlorophenoxy)pyrrolidine;hydrochloride has a molecular weight of 268.57 g/mol, XLogP of 3.16, 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)pyrrolidine;hydrochloride is sourced from PubChem (CID 46735719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).