2-(3,4,5-Trifluorophenyl)-1a,2,5,6,7,7a,8,8a-octahydrooxireno[2,3-b]quinolizin-4-one

HCID 87679031
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Basic information

Standard SMILES
O=C1CCCC2CC3OC3C(c3cc(F)c(F)c(F)c3)N12
InChIKey
NJXOAALKUGPSHD-UHFFFAOYSA-N
Molecular formula
C15H14F3NO2
Average molar mass
297.27 g/mol
Monoisotopic mass
297.09766318

Names & identifiers

Preferred name
2-(3,4,5-Trifluorophenyl)-1a,2,5,6,7,7a,8,8a-octahydrooxireno[2,3-b]quinolizin-4-one
IUPAC
2-(3,4,5-trifluorophenyl)-1a,2,5,6,7,7a,8,8a-octahydrooxireno[2,3-b]quinolizin-4-one

Names & synonyms

SCHEMBL4502117

Database identifiers

PubChem CID
87679031

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
21

Related reactions

1 records
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Compound notes

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