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Flufenamic Acid
CAS: 530-78-9 | C14H10F3NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
530-78-9
Molecular Formula:
C14H10F3NO2
Molecular Mass:
281.23 g/mol
Names and Synonyms:
Flufenamic Acid
Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-
Anthranilic acid, N-(α,α,α-trifluoro-m-tolyl)-
2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid
INF 1837
Arlef
Flufenamic acid
Fluphenamic acid
N-(m-Trifluoromethylphenyl)-2-aminobenzoic acid
N-(α,α,α-Trifluoro-m-tolyl)anthranilic acid
N-[3-(Trifluoromethyl)phenyl]anthranilic acid
3′-Trifluoromethyldiphenylamine-2-carboxylic acid
Achless
Fullsafe
Paraflu
Parlef
Surika
Tecramine
ANT-1
Parlif
Plostene
3′-Trifluoromethyl-N-phenylanthranilic acid
Pinox
Movilizin
2-[3-(Trifluoromethyl)anilino]benzoic acid
Ristogen
NSC 82699
Ansatin
Meralen
CI 440
CN 27544
Sastridex
NSC 219007
Identifiers:
SMILES:
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
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)
Key Properties
Melting Point
133.5 °C
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 | 281.23 g/mol | CAS Common Chemistry |
| 281.23299999999995 g/mol | RDKit | |
| 281.06636322 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 |
| Molar Refractivity | 68.12800000000001 | RDKit |
