Basic information
- Standard SMILES
COc1ccc2[nH]c(C)c(C(=O)C(F)(F)F)c2c1- InChIKey
XEMWKJGWVPQCTI-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO2
- Average molar mass
- 257.21 g/mol
- Monoisotopic mass
- 257.06636305
Names & identifiers
- Preferred name
- 3-Trifluoroacetyl-5-methoxy-2-methylindole
- IUPAC
- 2,2,2-trifluoro-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Names & synonyms
3-Trifluoroacetyl-5-methoxy-2-methylindoleSCHEMBL8877634
Database identifiers
- PubChem CID
- 19974936
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
1 records
Compound notes
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