3-(3,4-dichlorophenoxy)pyrrolidine

C10H11Cl2NO — CID 22313627

IUPAC3-(3,4-dichlorophenoxy)pyrrolidine
SMILESClc1ccc(OC2CCNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyZRYMANOGJMYQPM-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.73
Rot. Bonds2

About 3-(3,4-dichlorophenoxy)pyrrolidine

3-(3,4-dichlorophenoxy)pyrrolidine (PubChem CID 22313627) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)pyrrolidine
PubChem CID22313627
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-(3,4-dichlorophenoxy)pyrrolidine
SMILESClc1ccc(OC2CCNC2)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyZRYMANOGJMYQPM-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.73
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?
The IUPAC name of 3-(3,4-dichlorophenoxy)pyrrolidine (CID 22313627) is 3-(3,4-dichlorophenoxy)pyrrolidine.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)pyrrolidine?
The canonical SMILES for 3-(3,4-dichlorophenoxy)pyrrolidine is Clc1ccc(OC2CCNC2)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenoxy)pyrrolidine?
The InChIKey is ZRYMANOGJMYQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 3-(3,4-dichlorophenoxy)pyrrolidine?
3-(3,4-dichlorophenoxy)pyrrolidine has a molecular weight of 232.11 g/mol, XLogP of 2.73, 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 is sourced from PubChem (CID 22313627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).