1-ethyl-5-fluoroindole-2,3-dione

C10H8FNO2 — CID 4736863

IUPAC1-ethyl-5-fluoroindole-2,3-dione
SMILESCCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO2/c1-2-12-8-4-3-6(11)5-7(8)9(13)10(12)14/h3-5H,2H2,1H3
InChIKeyFKXXSAUARGEYGP-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.37
Rot. Bonds1

About 1-ethyl-5-fluoroindole-2,3-dione

1-ethyl-5-fluoroindole-2,3-dione (PubChem CID 4736863) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 1-ethyl-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-ethyl-5-fluoroindole-2,3-dione
PubChem CID4736863
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name1-ethyl-5-fluoroindole-2,3-dione
SMILESCCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C10H8FNO2/c1-2-12-8-4-3-6(11)5-7(8)9(13)10(12)14/h3-5H,2H2,1H3
InChIKeyFKXXSAUARGEYGP-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 7054
CID 7054
CID 11321
CID 11321
CID 12884
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CID 14313
CID 14313
CID 16358
CID 16358
CID 277990
CID 277990
CID 6096
CID 6096
CID 11840
CID 11840
CID 38296
CID 38296
CID 264734
CID 264734
CID 3008304
CID 3008304
CID 3772674
CID 3772674

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoroindole-2,3-dione?
The IUPAC name of 1-ethyl-5-fluoroindole-2,3-dione (CID 4736863) is 1-ethyl-5-fluoroindole-2,3-dione.
What is the SMILES notation for 1-ethyl-5-fluoroindole-2,3-dione?
The canonical SMILES for 1-ethyl-5-fluoroindole-2,3-dione is CCN1C(=O)C(=O)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoroindole-2,3-dione?
The InChIKey is FKXXSAUARGEYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-2-12-8-4-3-6(11)5-7(8)9(13)10(12)14/h3-5H,2H2,1H3.
What are the key properties of 1-ethyl-5-fluoroindole-2,3-dione?
1-ethyl-5-fluoroindole-2,3-dione has a molecular weight of 193.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoroindole-2,3-dione is sourced from PubChem (CID 4736863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).