1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione

C11H9BrFNO2 — CID 106893506

IUPAC1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCBr)C(=O)C2=O
InChIInChI=1S/C11H9BrFNO2/c1-6-4-7(13)5-8-9(6)14(3-2-12)11(16)10(8)15/h4-5H,2-3H2,1H3
InChIKeyUDAMYUGVYCAXFT-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.06
Rot. Bonds2

About 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione

1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione (PubChem CID 106893506) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
PubChem CID106893506
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCBr)C(=O)C2=O
InChIInChI=1S/C11H9BrFNO2/c1-6-4-7(13)5-8-9(6)14(3-2-12)11(16)10(8)15/h4-5H,2-3H2,1H3
InChIKeyUDAMYUGVYCAXFT-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.06
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-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione
CID 61356601
5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 106893809
5-fluoro-1-(3-methoxy-3-methylbutyl)-7-methylindole-2,3-dione
CID 106893795
1-(3-bromo-2-methylpropyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893513
5-fluoro-7-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]indole-2,3-dione
CID 106893794
1-[2-(2-chloroethoxy)ethyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893493
5-fluoro-7-methyl-1-prop-2-ynylindole-2,3-dione
CID 106893797
1-[(E)-but-2-enyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893650
N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
CID 106893739
5-fluoro-7-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]indole-2,3-dione
CID 106893907
5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
CID 106893652

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione?
The IUPAC name of 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione (CID 106893506) is 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione.
What is the SMILES notation for 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione?
The canonical SMILES for 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione is Cc1cc(F)cc2c1N(CCBr)C(=O)C2=O.
What is the InChIKey of 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione?
The InChIKey is UDAMYUGVYCAXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c1-6-4-7(13)5-8-9(6)14(3-2-12)11(16)10(8)15/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione?
1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione has a molecular weight of 286.10 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione is sourced from PubChem (CID 106893506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).