Basic information
- Standard SMILES
Cc1c(CCC(=O)OC(C)C)[nH]c2ccc(F)cc12- InChIKey
VYMYCALBUZWIEG-UHFFFAOYSA-N- Molecular formula
- C15H18FNO2
- Average molar mass
- 263.31 g/mol
Names & identifiers
- Preferred name
- isopropyl 5-fluoro-3-methyl-1H-indole-2-propanoate
- IUPAC
- propan-2-yl 3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoate
Names & synonyms
SCHEMBL9452896VYMYCALBUZWIEG-UHFFFAOYSA-Nisopropyl 5-fluoro-3-methyl-1H-indole-2-propanoate
Database identifiers
- PubChem CID
- 19794669
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
3 records
Compound notes
Loading…