2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(2-fluorophenyl)-
Basic information
- CAS
131505-64-1- Standard SMILES
C#Cc1ccc(C23OCC(c4ccccc4F)(CO2)CO3)cc1- InChIKey
BJBGXPREQPCNLN-UHFFFAOYSA-N- Molecular formula
- C19H15FO3
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.1005225
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(2-fluorophenyl)-
- IUPAC
- 1-(4-ethynylphenyl)-4-(2-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
- English name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(2-fluoropheny l)-
- Molecular formula
- C19H15FO3
- Molecular weight
- 310.32
Names & synonyms
131505-64-12,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(2-fluorophenyl)-1-(4-Ethynylphenyl)-4-(2-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)octaneDTXSID301570911-(4-ETHYNYLPHENYL)-4-(2-FLUOROPHENYL)-2,6,7-TRIOXABICYCLO[2.2.2]OCTANERefChem:247917DTXCID2079582SCHEMBL94514672,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(2-fluoropheny l)-
Database identifiers
- CAS
131505-64-1- PubChem CID
- 3076503
- DTXSID
DTXSID30157091
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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