(+/-)-(3aR*,7aS*)-7a-(2,2-difluorobenzo[1,3]dioxol-4-yl)hexahydropyrano[3,4-c]isoxazole

HCID 59281184
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Basic information

Standard SMILES
FC1(F)Oc2cccc([C@]34COCC[C@H]3CON4)c2O1
InChIKey
FHJJEPNITMLHJN-UFBFGSQYSA-N
Molecular formula
C13H13F2NO4
Average molar mass
285.24 g/mol
Monoisotopic mass
285.08126422

Names & identifiers

Preferred name
(+/-)-(3aR*,7aS*)-7a-(2,2-difluorobenzo[1,3]dioxol-4-yl)hexahydropyrano[3,4-c]isoxazole
IUPAC
(3aR,7aS)-7a-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole

Names & synonyms

(+/-)-(3aR*,7aS*)-7a-(2,2-difluorobenzo[1,3]dioxol-4-yl)hexahydropyrano[3,4-c]isoxazoleSCHEMBL3301942(+/-)-(3aR*,7aS*)-7a-(2,2-difluoro-benzo[1,3]dioxol-4-yl)-hexahydropyrano[3,4-c]isoxazole

Database identifiers

PubChem CID
59281184

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
49 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
20

Related reactions

2 records
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Compound notes

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