Fluprofen
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Basic information
- CAS
17692-38-5- Standard SMILES
CC(C(=O)O)c1ccc(-c2cccc(F)c2)cc1- InChIKey
TYCOFFBAZNSQOJ-UHFFFAOYSA-N- Molecular formula
- C15H13FO2
- Average molar mass
- 244.26 g/mol
- Monoisotopic mass
- 244.08995782
Names & identifiers
- Preferred name
- Fluprofen
- IUPAC
- 2-[4-(3-fluorophenyl)phenyl]propanoic acid
- English name
- Fluprofen
- Molecular formula
- C15H13FO2
- Molecular weight
- 244.26
Names & synonyms
Fluprofen17692-38-5RD 17345BTS 17345fluprofenefluprofenoFluprofen [INN:BAN]UNII-P69N9N4Y9YBTS-17345P69N9N4Y9YRD-17345FLUPROFEN [INN]
Show more names
3'-Fluoro-α-methylbiphenyl-4-acetic acid[1,1'-Biphenyl]-4-acetic acid, 3'-fluoro-α-methyl-3-(3-ethoxy-3-oxopropoxy)propanoic acid ethyl ester
2-(3'-Fluoro-4-biphenylyl)propionic acidfluprofenumRefChem:1410272-[4-(3-fluorophenyl)phenyl]propanoic acid2-(3'-Fluoro-[1,1'-biphenyl]-4-yl)propanoic acid2-{3'-FLUORO-[1,1'-BIPHENYL]-4-YL}PROPANOIC ACIDSCHEMBL416261orb2815074
Database identifiers
- CAS
17692-38-5- PubChem CID
- 219068
- DTXSID
DTXSID10864796- ChEMBL
CHEMBL2107458- UNII
- P69N9N4Y9Y
- Nikkaji
- J10.155I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 389.5 · 389.5±30.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 4.29 · 4.29±0.10(Predicted)
- FDA UNII
- 69 N9N4Y9Y · P69N9N4Y9Y
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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