Basic information
- Standard SMILES
Cc1ccc(N)c(O[C@H]2CCCN(C(=O)C(F)(F)F)C2)c1- InChIKey
NBOCPJJJXLHACC-JTQLQIEISA-N- Molecular formula
- C14H17F3N2O2
- Average molar mass
- 302.29 g/mol
- Monoisotopic mass
- 302.12421228
Names & identifiers
- Preferred name
- (S)-1-(3-(2-amino-5-methylphenoxy)piperidin-1-yl)-2,2,2-trifluoroethanone
- IUPAC
- 1-[(3S)-3-(2-amino-5-methylphenoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
Names & synonyms
(S)-1-(3-(2-amino-5-methylphenoxy)piperidin-1-yl)-2,2,2-trifluoroethanoneSCHEMBL2404638
Database identifiers
- PubChem CID
- 58413119
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
2 records
Compound notes
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