Basic information
- Standard SMILES
O=C(O)C(CC(C(F)(F)F)C(F)(F)F)N1CC(Oc2ccccc2Cl)=CC1=O- InChIKey
FBCBCPMEJLAJIP-UHFFFAOYSA-N- Molecular formula
- C16H12ClF6NO4
- Average molar mass
- 431.71 g/mol
Names & identifiers
- Preferred name
- 2-[4-(2-Chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-5,5,5-trifluoro-4-trifluoromethyl-pentanoic acid
- IUPAC
- 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanoic acid
Names & synonyms
2-[4-(2-chloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-5,5,5-trifluoro-4-trifluoromethyl-pentanoic acidSCHEMBL1068435
Database identifiers
- PubChem CID
- 86635239
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 622
Related reactions
4 records
Compound notes
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