Basic information
- Standard SMILES
CCOC(=O)Cc1cc2cc(OC(F)(F)F)ccc2[nH]1- InChIKey
RXTQBSGDWZHCQB-UHFFFAOYSA-N- Molecular formula
- C13H12F3NO3
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.07692773
Names & identifiers
- Preferred name
- ethyl 2-(5-(trifluoromethoxy)-1H-indol-2-yl)acetate
- IUPAC
- ethyl 2-[5-(trifluoromethoxy)-1H-indol-2-yl]acetate
Names & synonyms
ethyl 2-(5-(trifluoromethoxy)-1H-indol-2-yl)acetateSCHEMBL3425249
Database identifiers
- PubChem CID
- 68637441
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
3 records
Compound notes
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