2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine

C12H14BrClFN — CID 102620187

IUPAC2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(Cl)c(CN2CCCC2CBr)c1
InChIInChI=1S/C12H14BrClFN/c13-7-11-2-1-5-16(11)8-9-6-10(15)3-4-12(9)14/h3-4,6,11H,1-2,5,7-8H2
InChIKeyKYLBZTXBPBEGMF-UHFFFAOYSA-N
MW306.61 g/mol
LogP3.84
Rot. Bonds3

About 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine

2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine (PubChem CID 102620187) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
PubChem CID102620187
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(Cl)c(CN2CCCC2CBr)c1
InChIInChI=1S/C12H14BrClFN/c13-7-11-2-1-5-16(11)8-9-6-10(15)3-4-12(9)14/h3-4,6,11H,1-2,5,7-8H2
InChIKeyKYLBZTXBPBEGMF-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]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

[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
1-[(2-chloro-5-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 102620248
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 122150909
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine
CID 99932558
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
CID 103041371
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62580892
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine (CID 102620187) is 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine is Fc1ccc(Cl)c(CN2CCCC2CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
The InChIKey is KYLBZTXBPBEGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c13-7-11-2-1-5-16(11)8-9-6-10(15)3-4-12(9)14/h3-4,6,11H,1-2,5,7-8H2.
What are the key properties of 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine?
2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine has a molecular weight of 306.61 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 102620187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).