Methyl 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
Basic information
- CAS
1253225-62-5- Standard SMILES
COC(=O)c1cccc2c1CCN(C(=O)C(F)(F)F)C2- InChIKey
MFSNRPXPLBXRTI-UHFFFAOYSA-N- Molecular formula
- C13H12F3NO3
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.07692773
Names & identifiers
- Preferred name
- Methyl 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
- IUPAC
- methyl 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
Names & synonyms
Methyl 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylate1253225-62-5DTXSID60725666MFSNRPXPLBXRTI-UHFFFAOYSA-N
Database identifiers
- CAS
1253225-62-5- PubChem CID
- 57415985
- DTXSID
DTXSID60725666
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
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Compound notes
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