Basic information
- Standard SMILES
O=C(O)Cc1cc(Oc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2F)cc(C(F)(F)F)c1- InChIKey
OMBGRIUKTIFOGI-UHFFFAOYSA-N- Molecular formula
- C21H13F5O5S
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.04038549
Names & identifiers
- Preferred name
- [3-{2-Fluoro-4-[(4-fluorophenyl)sulfonyl]phenoxy}-5-(trifluoromethyl)phenyl]acetic acid
- IUPAC
- 2-[3-[2-fluoro-4-(4-fluorophenyl)sulfonylphenoxy]-5-(trifluoromethyl)phenyl]acetic acid
Names & synonyms
[3-{2-fluoro-4-[(4-fluorophenyl)sulfonyl]phenoxy}-5-(trifluoromethyl)phenyl]acetic acidSCHEMBL883915
Database identifiers
- PubChem CID
- 16123767
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 745
Related reactions
2 records
Compound notes
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