2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline

HCID 615216

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

Experimental & physicochemical properties

Kovats Retention Index1469.7

Chemistry & industry

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]

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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