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Basic information
- Standard SMILES
CCOC(=O)Cc1c(C(F)(F)F)n(C(C)=O)c2ccc(CBr)cc12- InChIKey
JHXRLAOVLNXFBW-UHFFFAOYSA-N- Molecular formula
- C16H15BrF3NO3
- Average molar mass
- 406.19 g/mol
Names & identifiers
- Preferred name
- (1-acetyl-5-bromomethyl-2-trifluoromethyl-1H-indol-3-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[1-acetyl-5-(bromomethyl)-2-(trifluoromethyl)indol-3-yl]acetate
Names & synonyms
(1-acetyl-5-bromomethyl-2-trifluoromethyl-1H-indol-3-yl)-acetic acid ethyl esterSCHEMBL3597602
Database identifiers
- PubChem CID
- 59192044
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
5 records
Compound notes
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