Basic information
- Standard SMILES
Cc1ccccc1C1CC(=O)c2c(C(F)(F)F)coc2C1- InChIKey
AESFHKKOALYJOI-UHFFFAOYSA-N- Molecular formula
- C16H13F3O2
- Average molar mass
- 294.27 g/mol
- Monoisotopic mass
- 294.08676414
Names & identifiers
- Preferred name
- 3-Trifluoromethyl-6-(2-methylphenyl)-4,5,6,7-tetrahydrobenzofuran-4-one
- IUPAC
- 6-(2-methylphenyl)-3-(trifluoromethyl)-6,7-dihydro-5H-1-benzofuran-4-one
Names & synonyms
3-trifluoromethyl-6-(2-methylphenyl)-4,5,6,7-tetrahydrobenzofuran-4-oneSCHEMBL7690067
Database identifiers
- PubChem CID
- 18317484
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
3 records
Compound notes
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