Basic information
- Standard SMILES
O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1ccc(OCCC(F)(F)F)cc1F- InChIKey
PJIRLXCMQHJSFU-UHFFFAOYSA-N- Molecular formula
- C20H16F7NO5
- Average molar mass
- 483.3 g/mol
Names & identifiers
- Preferred name
- 2-{[2-Fluoro-4-(3,3,3-trifluoropropoxy)benzoyl]amino}-3-[4-(trifluoromethoxy)phenyl]propanoic acid
- IUPAC
- 2-[[2-fluoro-4-(3,3,3-trifluoropropoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Names & synonyms
2-{[2-fluoro-4-(3,3,3-trifluoropropoxy)benzoyl]amino}-3-[4-(trifluoromethoxy)phenyl]propanoic acidSCHEMBL4361587
Database identifiers
- PubChem CID
- 87657675
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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