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

C10H6BrClFNO2 — CID 61358912

IUPAC5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CCCl)c2cc(F)c(Br)cc21
InChIInChI=1S/C10H6BrClFNO2/c11-6-3-5-8(4-7(6)13)14(2-1-12)10(16)9(5)15/h3-4H,1-2H2
InChIKeySGKOYFMFOZOCTL-UHFFFAOYSA-N
MW306.52 g/mol
LogP2.36
Rot. Bonds2

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

5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione (PubChem CID 61358912) has the molecular formula C10H6BrClFNO2 and a molecular weight of 306.52 g/mol. Its IUPAC name is 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione
PubChem CID61358912
Molecular FormulaC10H6BrClFNO2
Molecular Weight306.52 g/mol
Exact Mass304.93
IUPAC Name5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CCCl)c2cc(F)c(Br)cc21
InChIInChI=1S/C10H6BrClFNO2/c11-6-3-5-8(4-7(6)13)14(2-1-12)10(16)9(5)15/h3-4H,1-2H2
InChIKeySGKOYFMFOZOCTL-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 52.36
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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Related Compounds

5-bromo-1-(4-chlorobut-2-enyl)-6-fluoroindole-2,3-dione
CID 77051204
5-bromo-6-fluoro-1-hexylindole-2,3-dione
CID 61357354
5-bromo-6-fluoro-1-(3-methylsulfanylpropyl)indole-2,3-dione
CID 113473738
5-bromo-6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79360398
5-bromo-6-fluoro-1-(2-propoxyethyl)indole-2,3-dione
CID 106453668
5-bromo-6-fluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]indole-2,3-dione
CID 61490653
3-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N,N-dimethylpropanamide
CID 61360079
5-bromo-6-fluoro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61359301
methyl 4-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)butanoate
CID 61358323
5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
CID 103410239
5-bromo-1-(3-bromo-2,2-dimethylpropyl)-6-fluoroindole-2,3-dione
CID 64995372
5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione
CID 64996249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione?
The IUPAC name of 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione (CID 61358912) is 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione.
What is the SMILES notation for 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione?
The canonical SMILES for 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione is O=C1C(=O)N(CCCl)c2cc(F)c(Br)cc21.
What is the InChIKey of 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione?
The InChIKey is SGKOYFMFOZOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNO2/c11-6-3-5-8(4-7(6)13)14(2-1-12)10(16)9(5)15/h3-4H,1-2H2.
What are the key properties of 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione?
5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione has a molecular weight of 306.52 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione is sourced from PubChem (CID 61358912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).