1-(2-ethylbutyl)-7-fluoroindole-2,3-dione

C14H16FNO2 — CID 58101394

IUPAC1-(2-ethylbutyl)-7-fluoroindole-2,3-dione
SMILESCCC(CC)CN1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C14H16FNO2/c1-3-9(4-2)8-16-12-10(13(17)14(16)18)6-5-7-11(12)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZGXUCOLNJLNGKY-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione

1-(2-ethylbutyl)-7-fluoroindole-2,3-dione (PubChem CID 58101394) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-ethylbutyl)-7-fluoroindole-2,3-dione
PubChem CID58101394
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-(2-ethylbutyl)-7-fluoroindole-2,3-dione
SMILESCCC(CC)CN1C(=O)C(=O)c2cccc(F)c21
InChIInChI=1S/C14H16FNO2/c1-3-9(4-2)8-16-12-10(13(17)14(16)18)6-5-7-11(12)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZGXUCOLNJLNGKY-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione?
The IUPAC name of 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione (CID 58101394) is 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione?
The canonical SMILES for 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione is CCC(CC)CN1C(=O)C(=O)c2cccc(F)c21.
What is the InChIKey of 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione?
The InChIKey is ZGXUCOLNJLNGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-3-9(4-2)8-16-12-10(13(17)14(16)18)6-5-7-11(12)15/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione?
1-(2-ethylbutyl)-7-fluoroindole-2,3-dione has a molecular weight of 249.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-7-fluoroindole-2,3-dione is sourced from PubChem (CID 58101394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).