Tert-butyl 2-[[5-amino-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1COc1cc(N)ccc1C(F)(F)F- InChIKey
ISFWJLCGEYJOGH-UHFFFAOYSA-N- Molecular formula
- C17H23F3N2O3
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[[5-amino-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-[[5-amino-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL4372549
Database identifiers
- PubChem CID
- 69019989
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
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Related reactions
1 records
Compound notes
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