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

C10H9BrFN — CID 66621338

IUPAC5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cc(C2=NCCC2)ccc1Br
InChIInChI=1S/C10H9BrFN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6H,1-2,5H2
InChIKeyFESYYVSUPKHBAQ-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.17
Rot. Bonds1

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

5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 66621338) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID66621338
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cc(C2=NCCC2)ccc1Br
InChIInChI=1S/C10H9BrFN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6H,1-2,5H2
InChIKeyFESYYVSUPKHBAQ-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 66621338) is 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cc(C2=NCCC2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is FESYYVSUPKHBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6H,1-2,5H2.
What are the key properties of 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 242.09 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 66621338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).