(3S,3aR,6aR)-5,5-difluoro-3-(2-fluoro-phenyl)-3-methyl-hexahydro-cyclopenta[d]isoxazole

HCID 86678552
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Basic information

Standard SMILES
C[C@]1(c2ccccc2F)NO[C@@H]2CC(F)(F)C[C@@H]21
InChIKey
XFGLPQWJTPHPBP-MVWJERBFSA-N
Molecular formula
C13H14F3NO
Average molar mass
257.25 g/mol

Names & identifiers

Preferred name
(3S,3aR,6aR)-5,5-difluoro-3-(2-fluoro-phenyl)-3-methyl-hexahydro-cyclopenta[d]isoxazole
IUPAC
(3S,3aR,6aR)-5,5-difluoro-3-(2-fluorophenyl)-3-methyl-3a,4,6,6a-tetrahydro-2H-cyclopenta[d][1,2]oxazole

Names & synonyms

(3S,3aR,6aR)-5,5-difluoro-3-(2-fluoro-phenyl)-3-methyl-hexahydro-cyclopenta[d]isoxazoleSCHEMBL14776125

Database identifiers

PubChem CID
86678552

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
18

Related reactions

1 records
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Compound notes

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