Flurbiprofen

C15H13FO2CAS 5104-49-4244.27 g/mol

Open in Covalent MOL file
OHOF
Aryl halideCarboxylic acid

Properties

Molecular formula
C15H13FO2
Molar mass
244.27 g/mol
Exact mass
244.0900 Da
Density
0.32 g/mL
Melting point
110–111 °C
pKa
4.03
logP
3.68Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 114 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5104-49-4
SMILES
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIKey
SYTBZMRGLBWNTM-UHFFFAOYSA-N
InChI
InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

34 names · show all
  • [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-
  • 4-Biphenylacetic acid, 2-fluoro-α-methyl-
  • Hydratropic acid, 3-fluoro-4-phenyl-
  • 2-Fluoro-α-methyl[1,1′-biphenyl]-4-acetic acid
  • 3-Fluoro-4-phenylhydratropic acid
  • 2-(2-Fluoro-4-biphenylyl)propionic acid
  • FP 70
  • 2-(2-Fluoro-4-biphenyl)propionic acid
  • Froben
  • FP-A
  • Ansaid
  • Flugalin
  • U 27182
  • 2-(2-Fluoro-4-biphenylyl)propanoic acid
  • 2-Fluoro-α-methyl-4-diphenylacetic acid
  • 2-Fluoro-α-methyl-4-biphenylacetic acid
  • Dl-2-(2-Fluoro-4-biphenylyl)propionic acid
  • (±)-Flurbiprofen
  • Racemic flurbiprofen
  • Dl-Flurbiprofen
  • rac-Flurbiprofen
  • Stayban
  • Adfeed
  • Antadys
  • Cebutid
  • Zepolas
  • Flurofen
  • BTS 18322
  • 2-(2-Fluoro-1,1′-biphenyl-4-yl)propanoic acid
  • Fluribiprofen
  • Fluroben
  • Synalgo
  • Flurbifen
  • 2-(3-Fluoro-4-phenylphenyl)propanoic acid

Work with Flurbiprofen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Flurbiprofen51543-40-9Defined stereoisomer Flurbiprofen sodium56767-76-1Salt

Similar compounds

α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-663 % similar Flurbiprofen axetil91503-79-657 % similar 2-Phenylpropionic acid492-37-556 % similar (+)-2-Phenylpropionic acid7782-24-356 % similar (-)-2-Phenylpropionic acid7782-26-556 % similar Ketoprofen22071-15-451 % similar (+)-Ketoprofen22161-81-551 % similar Fenoprofen31879-05-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook