Basic information
- Standard SMILES
COc1ccc2c(c1)C(=O)C(C)(C)CC2c1cccc(C(F)(F)F)c1- InChIKey
NKIPNIXPQYLHLH-UHFFFAOYSA-N- Molecular formula
- C20H19F3O2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.13371433
Names & identifiers
- Preferred name
- 4-(3-Trifluoromethylphenyl)-7-methoxy-2,2-dimethyl-1-tetralone
- IUPAC
- 7-methoxy-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydronaphthalen-1-one
Names & synonyms
4-(3-trifluoromethylphenyl)-7-methoxy-2,2-dimethyl-1-tetraloneSCHEMBL11276686
Database identifiers
- PubChem CID
- 20545895
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
Loading…