5-bromo-7-fluoro-2,3-dihydro-1H-indole

C8H7BrFN — CID 16792689

IUPAC5-bromo-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Br)cc2c1NCC2
InChIInChI=1S/C8H7BrFN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4,11H,1-2H2
InChIKeyMJEHMLBMHVDGEB-UHFFFAOYSA-N
MW216.05 g/mol
LogP2.56
Rot. Bonds

About 5-bromo-7-fluoro-2,3-dihydro-1H-indole

5-bromo-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 16792689) has the molecular formula C8H7BrFN and a molecular weight of 216.05 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-bromo-7-fluoro-2,3-dihydro-1H-indole
PubChem CID16792689
Molecular FormulaC8H7BrFN
Molecular Weight216.05 g/mol
Exact Mass214.97
IUPAC Name5-bromo-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Br)cc2c1NCC2
InChIInChI=1S/C8H7BrFN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4,11H,1-2H2
InChIKeyMJEHMLBMHVDGEB-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 5-bromo-7-fluoro-2,3-dihydro-1H-indole (CID 16792689) is 5-bromo-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-bromo-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 5-bromo-7-fluoro-2,3-dihydro-1H-indole is Fc1cc(Br)cc2c1NCC2.
What is the InChIKey of 5-bromo-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is MJEHMLBMHVDGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4,11H,1-2H2.
What are the key properties of 5-bromo-7-fluoro-2,3-dihydro-1H-indole?
5-bromo-7-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 5-bromo-7-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 16792689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).