2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione

C14H6Br2FNO2 — CID 1103022

IUPAC2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1c1ccc(Br)cc1Br
InChIInChI=1S/C14H6Br2FNO2/c15-7-1-4-12(11(16)5-7)18-13(19)9-3-2-8(17)6-10(9)14(18)20/h1-6H
InChIKeyAVYPZMJJLYXEDL-UHFFFAOYSA-N
MW399.01 g/mol
LogP4.15
Rot. Bonds1

About 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione

2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione (PubChem CID 1103022) has the molecular formula C14H6Br2FNO2 and a molecular weight of 399.01 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
PubChem CID1103022
Molecular FormulaC14H6Br2FNO2
Molecular Weight399.01 g/mol
Exact Mass396.87
IUPAC Name2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1c1ccc(Br)cc1Br
InChIInChI=1S/C14H6Br2FNO2/c15-7-1-4-12(11(16)5-7)18-13(19)9-3-2-8(17)6-10(9)14(18)20/h1-6H
InChIKeyAVYPZMJJLYXEDL-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.01
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione?
The IUPAC name of 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione (CID 1103022) is 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione is O=C1c2ccc(F)cc2C(=O)N1c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione?
The InChIKey is AVYPZMJJLYXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2FNO2/c15-7-1-4-12(11(16)5-7)18-13(19)9-3-2-8(17)6-10(9)14(18)20/h1-6H.
What are the key properties of 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione?
2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione has a molecular weight of 399.01 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 1103022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).