Basic information
- Standard SMILES
O=C1CCc2ccc(C(F)(F)F)cc2CC1- InChIKey
BIKHOGXOEAOVDI-UHFFFAOYSA-N- Molecular formula
- C12H11F3O
- Average molar mass
- 228.21 g/mol
Names & identifiers
- Preferred name
- 2-trifluoromethyl-6,7,8,9-tetrahydro-[5H]-benzocyclohepten-7-one
- IUPAC
- 3-(trifluoromethyl)-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
Names & synonyms
2-trifluoromethyl-6,7,8,9-tetrahydro-[5H]-benzocyclohepten-7-oneSCHEMBL9491661
Database identifiers
- PubChem CID
- 11345199
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
Loading…