(3aRS,7aRS)-7,7-bis(3-fluorophenyl)-2-vinyloxycarbonylperhydro-4-isoindolone
Basic information
- Standard SMILES
C=COC(=O)N1CC2C(=O)CCC(c3cccc(F)c3)(c3cccc(F)c3)C2C1- InChIKey
KUVSCMKZALAHGO-UHFFFAOYSA-N- Molecular formula
- C23H21F2NO3
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.14894986
Names & identifiers
- Preferred name
- (3aRS,7aRS)-7,7-bis(3-fluorophenyl)-2-vinyloxycarbonylperhydro-4-isoindolone
- IUPAC
- ethenyl 4,4-bis(3-fluorophenyl)-7-oxo-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate
Names & synonyms
SCHEMBL9730421KUVSCMKZALAHGO-UHFFFAOYSA-N(3aRS,7aRS)-7,7-bis(3-fluorophenyl)-2-vinyloxycarbonylperhydro-4-isoindolone(3aRS,7aRS)-7,7-bis-(3-fluorophenyl)-2-vinyloxycarbonyl-4-perhydroisoindolone
Database identifiers
- PubChem CID
- 67916103
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Related reactions
7 records
Compound notes
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