3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine

C13H17ClFN — CID 70971643

IUPAC3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFN/c1-9(2)16-6-5-11(8-16)10-3-4-13(15)12(14)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyLGXXQZVQDPAJSH-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.68
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine

3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine (PubChem CID 70971643) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine
PubChem CID70971643
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C13H17ClFN/c1-9(2)16-6-5-11(8-16)10-3-4-13(15)12(14)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyLGXXQZVQDPAJSH-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine 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

3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]octane
CID 15679192
2-(4-Chlorophenyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 10331118
2-(3-Chlorophenyl)-N-methyl-N-[2-(pyrrolidin-1-yl)ethyl]ethan-1-amine
CID 15113306
(2S,3S)-2-Butyl-3-(4-chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44335535
(2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-propyl-8-aza-bicyclo[3.2.1]octane
CID 44335593
(3R,4S)-4-(4-Chloro-phenyl)-3-(3-fluoro-propyl)-1-methyl-piperidine
CID 11242662
1-(1-(3-chlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53317146
(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53317168
(2S,3S)-3-(4-Chloro-phenyl)-2-ethyl-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44276228
(2S,3S)-3-(4-Chloro-phenyl)-2-hexyl-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44335542
2-(4-Chlorophenyl)-7-ethyl-7-azabicyclo[2.2.1]heptane
CID 44355468
1-[(1R,2R,3S,5S)-3-(4-chlorophenyl)-8-(2-(18F)fluoroethyl)-8-azabicyclo[3.2.1]octan-2-yl]-N,N-dimethylmethanamine
CID 70686273

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine (CID 70971643) is 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine is CC(C)N1CCC(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine?
The InChIKey is LGXXQZVQDPAJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(2)16-6-5-11(8-16)10-3-4-13(15)12(14)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine?
3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 241.74 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 70971643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).