Basic information
- Standard SMILES
FC[C@]1(c2ccccc2F)NO[C@@H]2CC(F)(F)C[C@@H]21- InChIKey
YBSGRFYZGINXQY-UFGOTCBOSA-N- Molecular formula
- C13H13F4NO
- Average molar mass
- 275.24 g/mol
Names & identifiers
- Preferred name
- (3S,3aR,6aR)-5,5-difluoro-3-fluoromethyl-3-(2-fluoro-phenyl)-hexahydro-cyclopenta[d]isoxazole
- IUPAC
- (3S,3aR,6aR)-5,5-difluoro-3-(fluoromethyl)-3-(2-fluorophenyl)-3a,4,6,6a-tetrahydro-2H-cyclopenta[d][1,2]oxazole
Names & synonyms
(3S,3aR,6aR)-5,5-difluoro-3-fluoromethyl-3-(2-fluoro-phenyl)-hexahydro-cyclopenta[d]isoxazoleSCHEMBL14776272
Database identifiers
- PubChem CID
- 86678554
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Related reactions
1 records
Compound notes
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