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Molecule
(-)-Flurbiprofen
CAS: 51543-40-9 · C15H13FO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 51543-40-9
- Molecular Formula
- C15H13FO2
- Molecular Mass
- 244.26 g/mol
Identifiers
CAS Registry Number
51543-40-9
SMILES
C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChI Key
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
Names and Synonyms
- (-)-Flurbiprofen Common Name
- [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, (αR)- Synonym
- [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, (R)- Synonym
- (αR)-2-Fluoro-α-methyl[1,1′-biphenyl]-4-acetic acid Synonym
- (-)-Flurbiprofen Synonym
- l-Flurbiprofen Synonym
- R-(-)-Flurbiprofen Synonym
- (-)-(R)-Flurbiprofen Synonym
- (R)-Flurbiprofen Synonym
- E 7869 Synonym
- MPC 7869 Synonym
- Tarenflurbil Synonym
- Flurizan Synonym
- (R)-(-)-2-(2-Fluorobiphenyl-4-yl)propionic acid Synonym
- (R)-Flurbiprofen Synonym
- (2R)-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 | |
| 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)/t10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SYTBZMRGLBWNTM-SNVBAGLBSA-N | 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...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 244.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H13FO2.
