1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione

C12H12FNO3 — CID 43457248

IUPAC1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
SMILESCCOCCN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C12H12FNO3/c1-2-17-6-5-14-10-7-8(13)3-4-9(10)11(15)12(14)16/h3-4,7H,2,5-6H2,1H3
InChIKeyPWAJWVZBVBOJNQ-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.39
Rot. Bonds4

About 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione

1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione (PubChem CID 43457248) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
PubChem CID43457248
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
SMILESCCOCCN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C12H12FNO3/c1-2-17-6-5-14-10-7-8(13)3-4-9(10)11(15)12(14)16/h3-4,7H,2,5-6H2,1H3
InChIKeyPWAJWVZBVBOJNQ-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione?
The IUPAC name of 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione (CID 43457248) is 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione is CCOCCN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione?
The InChIKey is PWAJWVZBVBOJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-2-17-6-5-14-10-7-8(13)3-4-9(10)11(15)12(14)16/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione?
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione has a molecular weight of 237.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione is sourced from PubChem (CID 43457248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).