Basic information
- CAS
55649-51-9- Standard SMILES
O=C(N1CCc2ccccc2C1)C(F)(F)F- InChIKey
DVTYJMQWZHKOTG-UHFFFAOYSA-N- Molecular formula
- C11H10F3NO
- Average molar mass
- 229.2 g/mol
- Monoisotopic mass
- 229.07144843
Names & identifiers
- Preferred name
- 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
- English name
- 1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline
- Molecular formula
- C11H10F3NO
- Molecular weight
- 229.2
Names & synonyms
55649-51-92-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline1-(3,4-Dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoroethanone1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline1-(3,4-dihydroisoquinolin-2(1h)-yl)-2,2,2-trifluoroethanone1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoro-ethanoneSCHEMBL566389SCHEMBL952264SCHEMBL1098632SCHEMBL2208274SCHEMBL2208278
Show more names
Ethanone, 1-(3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-
SCHEMBL7084402CHEMBL1766972Isoquinoline, 1,2,3,4-tetrahydro-2-(trifluoroacetyl)-SCHEMBL30263783CHEBI:188652DTXSID501189670AKOS0038628891,2,3,4-Tetrahydroisoquinoline, TFA
Database identifiers
- CAS
55649-51-9- PubChem CID
- 615216
- DTXSID
DTXSID501189670- ChEMBL
CHEMBL1766972- ChEBI
CHEBI:188652- EC Number
- 611-297-7
- Nikkaji
- J120.772E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Kovats Retention Index1469.7
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海君悦生物科技有限公司021-51370612 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Additional notes
DefinitionChEBI: 2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline is a member of isoquinolines.
Related reactions
5 records
Compound notes
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