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

C12H15BrFN — CID 104703835

IUPAC2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
SMILESFc1cc(Br)ccc1CCC1CCCN1
InChIInChI=1S/C12H15BrFN/c13-10-5-3-9(12(14)8-10)4-6-11-2-1-7-15-11/h3,5,8,11,15H,1-2,4,6-7H2
InChIKeyORFFIYKJLRJTAD-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.27
Rot. Bonds3

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

2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine (PubChem CID 104703835) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
PubChem CID104703835
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
SMILESFc1cc(Br)ccc1CCC1CCCN1
InChIInChI=1S/C12H15BrFN/c13-10-5-3-9(12(14)8-10)4-6-11-2-1-7-15-11/h3,5,8,11,15H,1-2,4,6-7H2
InChIKeyORFFIYKJLRJTAD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
CID 104703723
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
1-(5-bromo-2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 116936289
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
CID 84808304
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786
N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972028
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine (CID 104703835) is 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine is Fc1cc(Br)ccc1CCC1CCCN1.
What is the InChIKey of 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine?
The InChIKey is ORFFIYKJLRJTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-10-5-3-9(12(14)8-10)4-6-11-2-1-7-15-11/h3,5,8,11,15H,1-2,4,6-7H2.
What are the key properties of 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine?
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine has a molecular weight of 272.16 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 104703835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).