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

C8H7BrFN — CID 83886924

IUPAC6-bromo-4-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Br)cc2c1CCN2
InChIInChI=1S/C8H7BrFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h3-4,11H,1-2H2
InChIKeyXCBCVNKQTAXXDA-UHFFFAOYSA-N
MW216.05 g/mol
LogP2.56
Rot. Bonds

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

6-bromo-4-fluoro-2,3-dihydro-1H-indole (PubChem CID 83886924) 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-indole.

Molecular Properties

Compound Name6-bromo-4-fluoro-2,3-dihydro-1H-indole
PubChem CID83886924
Molecular FormulaC8H7BrFN
Molecular Weight216.05 g/mol
Exact Mass214.97
IUPAC Name6-bromo-4-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Br)cc2c1CCN2
InChIInChI=1S/C8H7BrFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h3-4,11H,1-2H2
InChIKeyXCBCVNKQTAXXDA-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-4-fluoro-2,3-dihydro-1H-indole 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-indole?
The IUPAC name of 6-bromo-4-fluoro-2,3-dihydro-1H-indole (CID 83886924) is 6-bromo-4-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-bromo-4-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 6-bromo-4-fluoro-2,3-dihydro-1H-indole is Fc1cc(Br)cc2c1CCN2.
What is the InChIKey of 6-bromo-4-fluoro-2,3-dihydro-1H-indole?
The InChIKey is XCBCVNKQTAXXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h3-4,11H,1-2H2.
What are the key properties of 6-bromo-4-fluoro-2,3-dihydro-1H-indole?
6-bromo-4-fluoro-2,3-dihydro-1H-indole has a molecular weight of 216.05 g/mol, XLogP of 2.56, 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-indole is sourced from PubChem (CID 83886924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).