Back to Search
Molecule
Fenfluramine Hydrochloride
CAS: 404-82-0 · C12H17ClF3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 404-82-0
- Molecular Formula
- C12H17ClF3N
- Molecular Mass
- 267.72 g/mol
Identifiers
CAS Registry Number
404-82-0
SMILES
CCNC(C)Cc1cccc(C(F)(F)F)c1.Cl
InChI Key
ZXKXJHAOUFHNAS-UHFFFAOYSA-N
InChI
InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H
Names and Synonyms
- Fenfluramine Hydrochloride Common Name
- Benzeneethanamine, N-ethyl-α-methyl-3-(trifluoromethyl)-, hydrochloride (1:1) Synonym
- Phenethylamine, N-ethyl-α-methyl-m-(trifluoromethyl)-, hydrochloride Synonym
- Benzeneethanamine, N-ethyl-α-methyl-3-(trifluoromethyl)-, hydrochloride Synonym
- HHR-965 Synonym
- N-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine hydrochloride Synonym
- Fenfluramine hydrochloride Synonym
- Ponderal Synonym
- Ponderax Synonym
- Ponderex Synonym
- 1-(m-Trifluoromethylphenyl)-2-(ethylamino)propane hydrochloride Synonym
- Ganal Synonym
- Pondimin Synonym
- (±)-Fenfluramine chloride Synonym
- (±)-Fenfluramine hydrochloride Synonym
- dl-Fenfluramine hydrochloride Synonym
- Racemic fenfluramine hydrochloride Synonym
- Pondmin Synonym
- S 768 Synonym
- ZX 008 Synonym
- Fintepla Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.72 g/mol | CAS Common Chemistry |
| 267.7219999999999 g/mol | RDKit | |
| 267.722 g/mol | RDKit | |
| 267.719 g/mol | chempirical lib | |
| Canonical SMILES | Cl.FC(F)(F)C=1C=CC=C(C1)CC(NCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZXKXJHAOUFHNAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160-161 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | Fenfluramine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.667700000000003 | RDKit |
| 3.6677 | RDKit | |
| Molar Refractivity | 65.53470000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 267.100161884 g/mol | RDKit |
| Boiling Point | 108-112 °C @ 12 Torr | CAS Common Chemistry |
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.
External Resources
Convert
Quick conversion
MW = 267.72 g/mol. Edit any field — others recompute live.
