Molecular Identity
Triflusal
2-acetyloxy-4-(trifluoromethyl)benzoic acid
PubChem CID: 9458
2-acetyloxy-4-(trifluoromethyl)benzoic acid is a member of benzoic acids, a member of salicylates and a carboxylic ester.
2D Structure
Properties
C10H7F3O4
Molecular Formula
248.15
Molecular Weight
g/mol
248.0296
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
63.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
313
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)OIsomeric SMILES
SMILES: CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)OSynonyms(20)
Triflusal322-79-22-Acetoxy-4-trifluoromethylbenzoic acid2-(Acetyloxy)-4-(trifluoromethyl)benzoic acidTriflusalumDTXSID80453051Z0YFI05OODTXCID6025305RefChem:191611B01AC18206-297-5Disgren2-Acetoxy-4-(trifluoromethyl)benzoic Acid2-acetyloxy-4-(trifluoromethyl)benzoic acidAflen
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Triflusal
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