3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine

C18H18Cl2FNO — CID 71094366

IUPAC3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine
SMILESFc1ccc(OCCC2CNCC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2FNO/c19-17-6-1-12(9-18(17)20)16-11-22-10-13(16)7-8-23-15-4-2-14(21)3-5-15/h1-6,9,13,16,22H,7-8,10-11H2
InChIKeyKXVPHHBLBBIILW-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.90
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine

3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine (PubChem CID 71094366) has the molecular formula C18H18Cl2FNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine
PubChem CID71094366
Molecular FormulaC18H18Cl2FNO
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine
SMILESFc1ccc(OCCC2CNCC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2FNO/c19-17-6-1-12(9-18(17)20)16-11-22-10-13(16)7-8-23-15-4-2-14(21)3-5-15/h1-6,9,13,16,22H,7-8,10-11H2
InChIKeyKXVPHHBLBBIILW-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine?
The IUPAC name of 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine (CID 71094366) is 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine is Fc1ccc(OCCC2CNCC2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine?
The InChIKey is KXVPHHBLBBIILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO/c19-17-6-1-12(9-18(17)20)16-11-22-10-13(16)7-8-23-15-4-2-14(21)3-5-15/h1-6,9,13,16,22H,7-8,10-11H2.
What are the key properties of 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine?
3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine has a molecular weight of 354.25 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 71094366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).