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Molecule
Flufenamic Acid
CAS: 530-78-9 · C14H10F3NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 530-78-9
- Molecular Formula
- C14H10F3NO2
- Molecular Mass
- 281.23 g/mol
Identifiers
CAS Registry Number
530-78-9
SMILES
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChI Key
LPEPZBJOKDYZAD-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
Names and Synonyms
- Flufenamic Acid Synonym
- Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]- Synonym
- Anthranilic acid, N-(α,α,α-trifluoro-m-tolyl)- Synonym
- 2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid Synonym
- INF 1837 Synonym
- Arlef Synonym
- Flufenamic acid Synonym
- Fluphenamic acid Synonym
- N-(m-Trifluoromethylphenyl)-2-aminobenzoic acid Synonym
- N-(α,α,α-Trifluoro-m-tolyl)anthranilic acid Synonym
- N-[3-(Trifluoromethyl)phenyl]anthranilic acid Synonym
- 3′-Trifluoromethyldiphenylamine-2-carboxylic acid Synonym
- Achless Synonym
- Fullsafe Synonym
- Paraflu Synonym
- Parlef Synonym
- Surika Synonym
- Tecramine Synonym
- ANT-1 Synonym
- Parlif Synonym
- Plostene Synonym
- 3′-Trifluoromethyl-N-phenylanthranilic acid Synonym
- Pinox Synonym
- Movilizin Synonym
- 2-[3-(Trifluoromethyl)anilino]benzoic acid Synonym
- Ristogen Synonym
- NSC 82699 Synonym
- Ansatin Synonym
- Meralen Synonym
- CI 440 Synonym
- CN 27544 Synonym
- Sastridex Synonym
- NSC 219007 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.23 g/mol | CAS Common Chemistry |
| 281.23299999999995 g/mol | RDKit | |
| 281.233 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1NC2=CC=CC(=C2)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=LPEPZBJOKDYZAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133.5 °C | CAS Common Chemistry |
| Name | Flufenamic acid | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 4.1472000000000016 | RDKit |
| 4.1472 | RDKit | |
| Molar Refractivity | 68.12800000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 281.06636322 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 281.23 g/mol. Edit any field — others recompute live.
