3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine

C11H13ClFNO — CID 117331486

IUPAC3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(F)cc(Cl)cc1C1CCNC1
InChIInChI=1S/C11H13ClFNO/c1-15-11-9(7-2-3-14-6-7)4-8(12)5-10(11)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyRGGLCXRKYNYWKQ-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.56
Rot. Bonds2

About 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine

3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine (PubChem CID 117331486) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
PubChem CID117331486
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(F)cc(Cl)cc1C1CCNC1
InChIInChI=1S/C11H13ClFNO/c1-15-11-9(7-2-3-14-6-7)4-8(12)5-10(11)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyRGGLCXRKYNYWKQ-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
CID 117351158
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
4-(5-chloro-3-ethyl-2-methoxyphenyl)piperidine
CID 117387972
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
CID 117435548
4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
CID 117386422
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine (CID 117331486) is 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine is COc1c(F)cc(Cl)cc1C1CCNC1.
What is the InChIKey of 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine?
The InChIKey is RGGLCXRKYNYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-11-9(7-2-3-14-6-7)4-8(12)5-10(11)13/h4-5,7,14H,2-3,6H2,1H3.
What are the key properties of 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine?
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine has a molecular weight of 229.68 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 117331486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).