5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione

C12H10Br2FNO2 — CID 64996249

IUPAC5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione
SMILESCC(CBr)CN1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C12H10Br2FNO2/c1-6(4-13)5-16-10-3-9(15)8(14)2-7(10)11(17)12(16)18/h2-3,6H,4-5H2,1H3
InChIKeyNIZDLNAWCHSNAZ-UHFFFAOYSA-N
MW379.02 g/mol
LogP3.15
Rot. Bonds3

About 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione

5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione (PubChem CID 64996249) has the molecular formula C12H10Br2FNO2 and a molecular weight of 379.02 g/mol. Its IUPAC name is 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione
PubChem CID64996249
Molecular FormulaC12H10Br2FNO2
Molecular Weight379.02 g/mol
Exact Mass376.91
IUPAC Name5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione
SMILESCC(CBr)CN1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C12H10Br2FNO2/c1-6(4-13)5-16-10-3-9(15)8(14)2-7(10)11(17)12(16)18/h2-3,6H,4-5H2,1H3
InChIKeyNIZDLNAWCHSNAZ-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.02
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione?
The IUPAC name of 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione (CID 64996249) is 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione.
What is the SMILES notation for 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione?
The canonical SMILES for 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione is CC(CBr)CN1C(=O)C(=O)c2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione?
The InChIKey is NIZDLNAWCHSNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNO2/c1-6(4-13)5-16-10-3-9(15)8(14)2-7(10)11(17)12(16)18/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione?
5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione has a molecular weight of 379.02 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione is sourced from PubChem (CID 64996249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).