6-bromo-4-fluoro-2,3-dihydro-1H-isoindole

C8H7BrFN — CID 18629358

IUPAC6-bromo-4-fluoro-2,3-dihydro-1H-isoindole
SMILESFc1cc(Br)cc2c1CNC2
InChIInChI=1S/C8H7BrFN/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2
InChIKeyZOJUKIHIUSKTED-UHFFFAOYSA-N
MW216.05 g/mol
LogP2.19
Rot. Bonds

About 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole

6-bromo-4-fluoro-2,3-dihydro-1H-isoindole (PubChem CID 18629358) has the molecular formula C8H7BrFN and a molecular weight of 216.05 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name6-bromo-4-fluoro-2,3-dihydro-1H-isoindole
PubChem CID18629358
Molecular FormulaC8H7BrFN
Molecular Weight216.05 g/mol
Exact Mass214.97
IUPAC Name6-bromo-4-fluoro-2,3-dihydro-1H-isoindole
SMILESFc1cc(Br)cc2c1CNC2
InChIInChI=1S/C8H7BrFN/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2
InChIKeyZOJUKIHIUSKTED-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole?
The IUPAC name of 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole (CID 18629358) is 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole is Fc1cc(Br)cc2c1CNC2.
What is the InChIKey of 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole?
The InChIKey is ZOJUKIHIUSKTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2.
What are the key properties of 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole?
6-bromo-4-fluoro-2,3-dihydro-1H-isoindole has a molecular weight of 216.05 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 18629358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).