1-(8-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
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Basic information
- CAS
726136-49-8- Standard SMILES
O=C(N1CCc2cccc(Br)c2C1)C(F)(F)F- InChIKey
FUQMFJJYRYYNQE-UHFFFAOYSA-N- Molecular formula
- C11H9BrF3NO
- Average molar mass
- 308.09 g/mol
- Monoisotopic mass
- 306.98196
Names & identifiers
- Preferred name
- 1-(8-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
- IUPAC
- 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
- English name
- 1-(8-BroMo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
- Molecular formula
- C11H9BrF3NO
- Molecular weight
- 308.09
Names & synonyms
1-(8-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone726136-49-81-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone1-(8-bromo-1,2,3,4-tetrahydroisoquinolin-2-yl)-2,2,2-trifluoroethan-1-one8-bromo-1,2,3,4-tetrahydro-2-(trifluoroacetyl)isoquinolineSCHEMBL587897DB-3183948-bromo-1,2,3,4-tetrahydro-2-(trifluoroacetyl)-isoquinoline8-bromo-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoro-ethanone1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2,-trifluoro-ethanoneEthanone, 1-(8-bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-
Database identifiers
- CAS
726136-49-8- PubChem CID
- 59463166
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 403.9 · 403.9±45.0 °C(Predicted)
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- pka
- -1.96 · -1.96±0.20(Predicted)
Related reactions
5 records
Compound notes
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