4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole

C10H8BrF2N — CID 142161112

IUPAC4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NCCC1Br
InChIInChI=1S/C10H8BrF2N/c11-6-4-5-14-10(6)9-7(12)2-1-3-8(9)13/h1-3,6H,4-5H2
InChIKeyRMJWZLKISDATOQ-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.92
Rot. Bonds1

About 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole

4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 142161112) has the molecular formula C10H8BrF2N and a molecular weight of 260.08 g/mol. Its IUPAC name is 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID142161112
Molecular FormulaC10H8BrF2N
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NCCC1Br
InChIInChI=1S/C10H8BrF2N/c11-6-4-5-14-10(6)9-7(12)2-1-3-8(9)13/h1-3,6H,4-5H2
InChIKeyRMJWZLKISDATOQ-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 142161112) is 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NCCC1Br.
What is the InChIKey of 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is RMJWZLKISDATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N/c11-6-4-5-14-10(6)9-7(12)2-1-3-8(9)13/h1-3,6H,4-5H2.
What are the key properties of 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole?
4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 260.08 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142161112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).