Basic information
- Standard SMILES
Cc1cc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)ccc1C(=O)N1CCCC1- InChIKey
ZMAIHUBEOTZHBC-UHFFFAOYSA-N- Molecular formula
- C21H20F3NO4
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.13444261
Names & identifiers
- Preferred name
- [[3'-Methyl-4'-(1-pyrrolidinylcarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]-acetic acid
- IUPAC
- 2-[2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
Names & synonyms
[[3'-methyl-4'-(1-pyrrolidinylcarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]-acetic acidSCHEMBL2617738
Database identifiers
- PubChem CID
- 11545969
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Related reactions
2 records
Compound notes
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