Basic information
- Standard SMILES
FC(F)(F)CCOc1ccc2c(c1)CNC2.O=C(O)C(F)(F)F- InChIKey
NJDIMNMJCNJVCS-UHFFFAOYSA-N- Molecular formula
- C13H13F6NO3
- Average molar mass
- 345.24 g/mol
- Monoisotopic mass
- 345.07996225
Names & identifiers
- Preferred name
- 5-(3,3,3-Trifluoro-propoxy)-2,3-dihydro-1H-isoindole trifluoroacetate
- IUPAC
- 2,2,2-trifluoroacetic acid;5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-isoindole
Names & synonyms
5-(3,3,3-Trifluoro-propoxy)-2,3-dihydro-1H-isoindole trifluoroacetateSCHEMBL3875470
Database identifiers
- PubChem CID
- 86607010
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 315
Related reactions
2 records
Compound notes
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