(3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine

C10H11ClFNO — CID 26192274

IUPAC(3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine
SMILESFc1ccc(Cl)c(O[C@H]2CCNC2)c1
InChIInChI=1S/C10H11ClFNO/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1
InChIKeyYCMIZKNHAYASTC-QMMMGPOBSA-N
MW215.66 g/mol
LogP2.22
Rot. Bonds2

About (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine

(3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine (PubChem CID 26192274) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine
PubChem CID26192274
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name(3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine
SMILESFc1ccc(Cl)c(O[C@H]2CCNC2)c1
InChIInChI=1S/C10H11ClFNO/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1
InChIKeyYCMIZKNHAYASTC-QMMMGPOBSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine?
The IUPAC name of (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine (CID 26192274) is (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine is Fc1ccc(Cl)c(O[C@H]2CCNC2)c1.
What is the InChIKey of (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine?
The InChIKey is YCMIZKNHAYASTC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-9-2-1-7(12)5-10(9)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine?
(3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine has a molecular weight of 215.66 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chloro-5-fluorophenoxy)pyrrolidine is sourced from PubChem (CID 26192274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).