Basic information
- Standard SMILES
O=C(O)c1ccc(C(=O)N2CC=CC2)c(C(F)(F)F)c1- InChIKey
JYCSQSLJHIYSHT-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO3
- Average molar mass
- 285.22 g/mol
- Monoisotopic mass
- 285.06127767
Names & identifiers
- Preferred name
- 4-(2,5-Dihydropyrrol-1-ylcarbonyl)-3-trifluoromethylbenzoic acid
- IUPAC
- 4-(2,5-dihydropyrrole-1-carbonyl)-3-(trifluoromethyl)benzoic acid
Names & synonyms
4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-trifluoromethylbenzoic acidSCHEMBL5104049
Database identifiers
- PubChem CID
- 69312632
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Related reactions
2 records
Compound notes
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