(Pentane-2,3-diyl)bis(6-fluorobenzene-4,1,2-triyl) tetraacetate
Basic information
- CAS
80595-73-9- Standard SMILES
CCC(c1cc(F)c(OC(C)=O)c(OC(C)=O)c1)C(C)c1cc(F)c(OC(C)=O)c(OC(C)=O)c1- InChIKey
WSTGQGOLZDAWND-UHFFFAOYSA-N- Molecular formula
- C25H26F2O8
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.15957411
Names & identifiers
- Preferred name
- (Pentane-2,3-diyl)bis(6-fluorobenzene-4,1,2-triyl) tetraacetate
- IUPAC
- [2-acetyloxy-5-[3-(3,4-diacetyloxy-5-fluorophenyl)pentan-2-yl]-3-fluorophenyl] acetate
Names & synonyms
BX-591B- 591SCHEMBL2110861CHEMBL2104694DTXSID80868584NS00126444(Pentane-2,3-diyl)bis(6-fluorobenzene-4,1,2-triyl) tetraacetate
Database identifiers
- CAS
80595-73-9- PubChem CID
- 170368
- DTXSID
DTXSID80868584- ChEMBL
CHEMBL2104694
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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