5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride

C8H8BrClFN — CID 118482500

IUPAC5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Fc1cc2c(cc1Br)CNC2
InChIInChI=1S/C8H7BrFN.ClH/c9-7-1-5-3-11-4-6(5)2-8(7)10;/h1-2,11H,3-4H2;1H
InChIKeyACOGAZHNBUMGGS-UHFFFAOYSA-N
MW252.51 g/mol
LogP2.61
Rot. Bonds

About 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride

5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 118482500) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID118482500
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Fc1cc2c(cc1Br)CNC2
InChIInChI=1S/C8H7BrFN.ClH/c9-7-1-5-3-11-4-6(5)2-8(7)10;/h1-2,11H,3-4H2;1H
InChIKeyACOGAZHNBUMGGS-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride (CID 118482500) is 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride is Cl.Fc1cc2c(cc1Br)CNC2.
What is the InChIKey of 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is ACOGAZHNBUMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN.ClH/c9-7-1-5-3-11-4-6(5)2-8(7)10;/h1-2,11H,3-4H2;1H.
What are the key properties of 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 252.51 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 118482500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).