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Basic information
- Standard SMILES
COC(=O)Cc1c(C)[nH]c2cc(C(F)(F)F)ccc12- InChIKey
DUXPFWNHUYEGGJ-UHFFFAOYSA-N- Molecular formula
- C13H12F3NO2
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.08201311
Names & identifiers
- Preferred name
- 2-(2-methyl-6-trifluoromethyl-1H-indol-3-yl)acetic acid methyl ester
- IUPAC
- methyl 2-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]acetate
Names & synonyms
2-(2-methyl-6-trifluoromethyl-1H-indol-3-yl)acetic acid methyl esterSCHEMBL6287945
Database identifiers
- PubChem CID
- 69733136
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
2 records
Compound notes
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