(-)-Flurbiprofen

C15H13FO2CAS 51543-40-9244.27 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
logP
3.68Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
51543-40-9
SMILES
C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIKey
SYTBZMRGLBWNTM-SNVBAGLBSA-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)/t10-/m1/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, (αR)-
  • [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, (R)-
  • (αR)-2-Fluoro-α-methyl[1,1′-biphenyl]-4-acetic acid
  • l-Flurbiprofen
  • R-(-)-Flurbiprofen
  • (-)-(R)-Flurbiprofen
  • (R)-Flurbiprofen
  • E 7869
  • MPC 7869
  • Tarenflurbil
  • Flurizan
  • (R)-(-)-2-(2-Fluorobiphenyl-4-yl)propionic acid
  • (2R)-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.

Flurbiprofen5104-49-4Stereo not defined Flurbiprofen sodium56767-76-1Salt, stereo not defined

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