Basic information
- Standard SMILES
O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C(F)(F)F- InChIKey
OZLKEHFVMNOUHQ-UHFFFAOYSA-N- Molecular formula
- C12H9F6NO
- Average molar mass
- 297.2 g/mol
Names & identifiers
- Preferred name
- 2-Trifluoroacetyl-7-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 2,2,2-trifluoro-1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Names & synonyms
284027-34-52-trifluoroacetyl-7-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline2,2,2-Trifluoro-1-(7-(trifluoromethyl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone2,2,2-TRIFLUORO-1-[7-(TRIFLUOROMETHYL)-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]ETHANONE2,2,2-trifluoro-1-[7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one2,2,2-Trifluoro-1-[7-(trifluoromethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanoneSCHEMBL3865684AKOS0159548282-(Trifluoroacetyl)-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 18176538
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Related reactions
4 records
Compound notes
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