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

C11H10FNO3 — CID 106893656

IUPAC5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCO)C(=O)C2=O
InChIInChI=1S/C11H10FNO3/c1-6-4-7(12)5-8-9(6)13(2-3-14)11(16)10(8)15/h4-5,14H,2-3H2,1H3
InChIKeyRDHWNCCUXXOETB-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.66
Rot. Bonds2

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

5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione (PubChem CID 106893656) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
PubChem CID106893656
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(CCO)C(=O)C2=O
InChIInChI=1S/C11H10FNO3/c1-6-4-7(12)5-8-9(6)13(2-3-14)11(16)10(8)15/h4-5,14H,2-3H2,1H3
InChIKeyRDHWNCCUXXOETB-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione?
The IUPAC name of 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione (CID 106893656) is 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione?
The canonical SMILES for 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione is Cc1cc(F)cc2c1N(CCO)C(=O)C2=O.
What is the InChIKey of 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione?
The InChIKey is RDHWNCCUXXOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-6-4-7(12)5-8-9(6)13(2-3-14)11(16)10(8)15/h4-5,14H,2-3H2,1H3.
What are the key properties of 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione?
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione has a molecular weight of 223.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione is sourced from PubChem (CID 106893656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).