(6R,7aS)-6-Hydroxy-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-one

HCID 70976331
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Basic information

Standard SMILES
O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](O)CN12
InChIKey
HODSTJWASVTZPQ-VHSXEESVSA-N
Molecular formula
C13H13F3N2O3
Average molar mass
302.25 g/mol
Monoisotopic mass
302.08782677

Names & identifiers

Preferred name
(6R,7aS)-6-Hydroxy-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-one
IUPAC
(6R,7aS)-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

Names & synonyms

(6R,7aS)-6-Hydroxy-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-oneSCHEMBL13721756

Database identifiers

PubChem CID
70976331

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
53 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
21

Related reactions

6 records
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Compound notes

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