Rac (3-{1-phenyl-2-[3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenoxy]-ethoxy}-phenyl)-acetic acid methyl ester
Basic information
- Standard SMILES
COC(=O)Cc1cccc(OC(COc2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)c2ccccc2)c1- InChIKey
ATSPFZUJCUYCJI-UHFFFAOYSA-N- Molecular formula
- C26H22F6O5
- Average molar mass
- 528.4 g/mol
- Monoisotopic mass
- 528.13714277
Names & identifiers
- Preferred name
- Rac (3-{1-phenyl-2-[3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenoxy]-ethoxy}-phenyl)-acetic acid methyl ester
- IUPAC
- methyl 2-[3-[2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]-1-phenylethoxy]phenyl]acetate
Names & synonyms
rac (3-{1-phenyl-2-[3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenoxy]-ethoxy}-phenyl)-acetic acid methyl esterSCHEMBL3977176
Database identifiers
- PubChem CID
- 11613415
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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