Basic information
- Standard SMILES
CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)[O-]- InChIKey
VAZKTDRSMMSAQB-UHFFFAOYSA-M- Molecular formula
- C16H12F3O4-
- Average molar mass
- 325.26 g/mol
- Monoisotopic mass
- 325.06876835
Names & identifiers
- Preferred name
- 2-[4-[4-(Trifluoromethyl)phenoxy]phenoxy]propanoate
- IUPAC
- 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
Database identifiers
- PubChem CID
- 20218249
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 378
Related reactions
1 records
Compound notes
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