2,6,7-Trioxabicyclo(2.2.2)octane, 4-(fluorophenyl)-1-(4-iodophenyl)-
Basic information
- CAS
130523-79-4- Standard SMILES
Fc1ccc(C23COC(c4ccc(I)cc4)(OC2)OC3)cc1- InChIKey
GPIPOPKSWUIARR-UHFFFAOYSA-N- Molecular formula
- C17H14FIO3
- Average molar mass
- 412.19 g/mol
- Monoisotopic mass
- 411.99717
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(fluorophenyl)-1-(4-iodophenyl)-
- IUPAC
- 4-(4-fluorophenyl)-1-(4-iodophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(fluorophenyl)-1-(4-iodophenyl)-130523-79-4SCHEMBL9451555DTXSID201565934-(4-Fluorophenyl)-1-(4-iodophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
130523-79-4- PubChem CID
- 182986
- DTXSID
DTXSID20156593
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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