7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione

C10H6Br2FNO2 — CID 61356601

IUPAC7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CCBr)c2c(Br)cc(F)cc21
InChIInChI=1S/C10H6Br2FNO2/c11-1-2-14-8-6(9(15)10(14)16)3-5(13)4-7(8)12/h3-4H,1-2H2
InChIKeyPLXJOZTXLIGJJM-UHFFFAOYSA-N
MW350.97 g/mol
LogP2.51
Rot. Bonds2

About 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione

7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione (PubChem CID 61356601) has the molecular formula C10H6Br2FNO2 and a molecular weight of 350.97 g/mol. Its IUPAC name is 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione
PubChem CID61356601
Molecular FormulaC10H6Br2FNO2
Molecular Weight350.97 g/mol
Exact Mass348.87
IUPAC Name7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CCBr)c2c(Br)cc(F)cc21
InChIInChI=1S/C10H6Br2FNO2/c11-1-2-14-8-6(9(15)10(14)16)3-5(13)4-7(8)12/h3-4H,1-2H2
InChIKeyPLXJOZTXLIGJJM-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.97
LogP ≤ 52.51
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 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione?
The IUPAC name of 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione (CID 61356601) is 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione.
What is the SMILES notation for 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione?
The canonical SMILES for 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione is O=C1C(=O)N(CCBr)c2c(Br)cc(F)cc21.
What is the InChIKey of 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione?
The InChIKey is PLXJOZTXLIGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FNO2/c11-1-2-14-8-6(9(15)10(14)16)3-5(13)4-7(8)12/h3-4H,1-2H2.
What are the key properties of 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione?
7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione has a molecular weight of 350.97 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione is sourced from PubChem (CID 61356601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).