Basic information
- Standard SMILES
CCCCCC[C@@H](OC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1)C(F)(F)F- InChIKey
WUXDFZMCAGRKTG-AREMUKBSSA-N- Molecular formula
- C28H29F3O3
- Average molar mass
- 470.5 g/mol
Names & identifiers
- Preferred name
- (R)-(+)-4-(1,1,1-trifluoro-2-octyloxycarbonyl)-4'-benzyloxybiphenyl
- IUPAC
- [(2R)-1,1,1-trifluorooctan-2-yl] 4-(4-phenylmethoxyphenyl)benzoate
Names & synonyms
(R)-(+)-4-(1,1,1-trifluoro-2-octyloxycarbonyl)-4'-benzyloxybiphenylSCHEMBL9462395
Database identifiers
- PubChem CID
- 22848629
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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