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Molecule
Flurbiprofen
CAS: 5104-49-4 · C15H13FO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5104-49-4
- Molecular Formula
- C15H13FO2
- Molecular Mass
- 244.26 g/mol
Identifiers
CAS Registry Number
5104-49-4
SMILES
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChI Key
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)
Names and Synonyms
- Flurbiprofen Common Name
- [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl- Synonym
- 4-Biphenylacetic acid, 2-fluoro-α-methyl- Synonym
- Hydratropic acid, 3-fluoro-4-phenyl- Synonym
- 2-Fluoro-α-methyl[1,1′-biphenyl]-4-acetic acid Synonym
- 3-Fluoro-4-phenylhydratropic acid Synonym
- 2-(2-Fluoro-4-biphenylyl)propionic acid Synonym
- Flurbiprofen Synonym
- FP 70 Synonym
- 2-(2-Fluoro-4-biphenyl)propionic acid Synonym
- Froben Synonym
- FP-A Synonym
- Ansaid Synonym
- Flugalin Synonym
- U 27182 Synonym
- 2-(2-Fluoro-4-biphenylyl)propanoic acid Synonym
- 2-Fluoro-α-methyl-4-diphenylacetic acid Synonym
- 2-Fluoro-α-methyl-4-biphenylacetic acid Synonym
- dl-2-(2-Fluoro-4-biphenylyl)propionic acid Synonym
- (±)-Flurbiprofen Synonym
- Racemic flurbiprofen Synonym
- dl-Flurbiprofen Synonym
- rac-Flurbiprofen Synonym
- Stayban Synonym
- Adfeed Synonym
- Antadys Synonym
- Cebutid Synonym
- Zepolas Synonym
- Flurofen Synonym
- BTS 18322 Synonym
- 2-(2-Fluoro-1,1′-biphenyl-4-yl)propanoic acid Synonym
- Fluribiprofen Synonym
- Fluroben Synonym
- Synalgo Synonym
- Flurbifen Synonym
- 2-(3-Fluoro-4-phenylphenyl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.26 g/mol | CAS Common Chemistry |
| 244.265 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 |
| 3.6808 | RDKit | |
| Molar Refractivity | 67.88680000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 244.089957876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 244.26 g/mol; density = 0.320 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H13FO2.
