Basic information
- Standard SMILES
CCOC(=O)Cc1c(C(=O)OCC)[nH]c2ccc(F)cc12- InChIKey
IPTQYVUACAXQMA-UHFFFAOYSA-N- Molecular formula
- C15H16FNO4
- Average molar mass
- 293.29 g/mol
- Monoisotopic mass
- 293.10633615
Names & identifiers
- Preferred name
- 3-ethoxycarbonylmethyl-5-fluoro-1H-indole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-(2-ethoxy-2-oxoethyl)-5-fluoro-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL3276549IPTQYVUACAXQMA-UHFFFAOYSA-N3-ethoxycarbonylmethyl-5-fluoro-1H-indole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 10565634
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
3 records
Compound notes
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