2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

C11H11BrFN — CID 25214294

IUPAC2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2=NC(CBr)CC2)cc1
InChIInChI=1S/C11H11BrFN/c12-7-10-5-6-11(14-10)8-1-3-9(13)4-2-8/h1-4,10H,5-7H2
InChIKeyGVCGOKBRVGWWES-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.17
Rot. Bonds2

About 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 25214294) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID25214294
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2=NC(CBr)CC2)cc1
InChIInChI=1S/C11H11BrFN/c12-7-10-5-6-11(14-10)8-1-3-9(13)4-2-8/h1-4,10H,5-7H2
InChIKeyGVCGOKBRVGWWES-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900
6-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 12009048
1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 102142893
(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 135081127
5-benzyl-3,4-dihydro-2H-pyrrole
CID 224018
Azete, 2,3-dihydro-4-phenyl-
CID 568635

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 25214294) is 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2=NC(CBr)CC2)cc1.
What is the InChIKey of 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is GVCGOKBRVGWWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c12-7-10-5-6-11(14-10)8-1-3-9(13)4-2-8/h1-4,10H,5-7H2.
What are the key properties of 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 256.12 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 25214294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).