Basic information
- Standard SMILES
Cc1c[nH]c2c1C(=O)CC(c1ccccc1F)C2- InChIKey
BTAVLFDXPHOABN-UHFFFAOYSA-N- Molecular formula
- C15H14FNO
- Average molar mass
- 243.28 g/mol
- Monoisotopic mass
- 243.10594223
Names & identifiers
- Preferred name
- 3-Methyl-6-(2-fluorophenyl)-4,5,6,7-tetrahydroindol-4-one
- IUPAC
- 6-(2-fluorophenyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one
Names & synonyms
SCHEMBL7683083BTAVLFDXPHOABN-UHFFFAOYSA-N3-methyl-6-(2-fluorophenyl)-4,5,6,7-tetrahydroindol-4-one6-(2-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindol-4-one
Database identifiers
- PubChem CID
- 18317360
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
3 records
Compound notes
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