3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine

C12H15BrFN — CID 84713269

IUPAC3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
SMILESFc1ccc(CCC2CCNC2)cc1Br
InChIInChI=1S/C12H15BrFN/c13-11-7-9(3-4-12(11)14)1-2-10-5-6-15-8-10/h3-4,7,10,15H,1-2,5-6,8H2
InChIKeyBPORTOVLIKBDPY-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.13
Rot. Bonds3

About 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine

3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine (PubChem CID 84713269) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
PubChem CID84713269
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
SMILESFc1ccc(CCC2CCNC2)cc1Br
InChIInChI=1S/C12H15BrFN/c13-11-7-9(3-4-12(11)14)1-2-10-5-6-15-8-10/h3-4,7,10,15H,1-2,5-6,8H2
InChIKeyBPORTOVLIKBDPY-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-(3-bromo-4-fluorophenyl)ethyl]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

4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 116996854
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210742
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
CID 112563662

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine (CID 84713269) is 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine is Fc1ccc(CCC2CCNC2)cc1Br.
What is the InChIKey of 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is BPORTOVLIKBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-11-7-9(3-4-12(11)14)1-2-10-5-6-15-8-10/h3-4,7,10,15H,1-2,5-6,8H2.
What are the key properties of 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine?
3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 272.16 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 84713269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).