2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine

C12H14BrClFN — CID 103041371

IUPAC2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(CN2CCCC2CBr)cc1Cl
InChIInChI=1S/C12H14BrClFN/c13-7-10-2-1-5-16(10)8-9-3-4-12(15)11(14)6-9/h3-4,6,10H,1-2,5,7-8H2
InChIKeyCFOSSBJBEYCGIZ-UHFFFAOYSA-N
MW306.61 g/mol
LogP3.84
Rot. Bonds3

About 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine

2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine (PubChem CID 103041371) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
PubChem CID103041371
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(CN2CCCC2CBr)cc1Cl
InChIInChI=1S/C12H14BrClFN/c13-7-10-2-1-5-16(10)8-9-3-4-12(15)11(14)6-9/h3-4,6,10H,1-2,5,7-8H2
InChIKeyCFOSSBJBEYCGIZ-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-[(3-chloro-4-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

2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)piperidine
CID 103041314
1-[(3-bromo-4-fluorophenyl)methyl]-2-(bromomethyl)azepane
CID 116638475
N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 103038258
2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620187
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
2-(2-bromoethyl)-1-[(4-chloro-3-fluorophenyl)methyl]piperidine
CID 107887471
1-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678143
1-[(3-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 102978042
1-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70783740
N-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70775004
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine (CID 103041371) is 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine is Fc1ccc(CN2CCCC2CBr)cc1Cl.
What is the InChIKey of 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine?
The InChIKey is CFOSSBJBEYCGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c13-7-10-2-1-5-16(10)8-9-3-4-12(15)11(14)6-9/h3-4,6,10H,1-2,5,7-8H2.
What are the key properties of 2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine?
2-(bromomethyl)-1-[(3-chloro-4-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-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 103041371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).