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Flurbiprofen
CAS: 5104-49-4 | C15H13FO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5104-49-4
Molecular Formula:
C15H13FO2
Molecular Mass:
244.26 g/mol
Names and Synonyms:
Flurbiprofen
[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
Flurbiprofen
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
Identifiers:
SMILES:
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
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)
Key Properties
Melting Point
110-111 °C
CAS Common Chemistry
Density
0.32 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.26 g/mol | CAS Common Chemistry |
| 244.265 g/mol | RDKit | |
| 244.089957876 g/mol | RDKit | |
| Density | 0.32 g/cm³ | CAS Common Chemistry |
| 0.32 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(C=1C=CC(=C(F)C1)C=2C=CC=CC2)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=SYTBZMRGLBWNTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-111 °C | CAS Common Chemistry |
| Name | Flurbiprofen | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.6808000000000023 | RDKit |
| Molar Refractivity | 67.88680000000002 | RDKit |
