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1,1,2,2-Tetrafluoro-N,N-Dimethylethanamine
CAS: 1550-50-1 | C4H7F4N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1550-50-1
Molecular Formula:
C4H7F4N
Molecular Mass:
145.10 g/mol
Names and Synonyms:
1,1,2,2-Tetrafluoro-N,N-Dimethylethanamine
Ethanamine, 1,1,2,2-tetrafluoro-N,N-dimethyl-
Ethylamine, 1,1,2,2-tetrafluoro-N,N-dimethyl-
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
N-(1,1,2,2-Tetrafluoroethyl)dimethylamine
N,N-Dimethyl-1,1,2,2-tetrafluoroethanamine
1,1,2,2-Tetrafluoro-N,N-dimethylethan-1-amine
1,1,2,2-Tetrafluoro-N,N-dimethylethylamine
Identifiers:
SMILES:
CN(C)C(F)(F)C(F)F
InChI:
InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3
Key Properties
Boiling Point
32 °C @ Press: 127 Torr
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 | 145.10 g/mol | CAS Common Chemistry |
| 145.099 g/mol | RDKit | |
| 145.051462104 g/mol | RDKit | |
| Boiling Point | 32 °C @ Press: 127 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VIRGYRZBWQFJGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2-Tetrafluoro-N,N-dimethylethanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.4059 | RDKit |
| Molar Refractivity | 24.63799999999999 | RDKit |
