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Molecule
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
Identifiers
CAS Registry Number
1550-50-1
SMILES
CN(C)C(F)(F)C(F)F
InChI Key
VIRGYRZBWQFJGJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3
Names and Synonyms
- 1,1,2,2-Tetrafluoro-N,N-Dimethylethanamine Synonym
- Ethanamine, 1,1,2,2-tetrafluoro-N,N-dimethyl- Synonym
- Ethylamine, 1,1,2,2-tetrafluoro-N,N-dimethyl- Synonym
- 1,1,2,2-Tetrafluoro-N,N-dimethylethanamine Synonym
- N-(1,1,2,2-Tetrafluoroethyl)dimethylamine Synonym
- N,N-Dimethyl-1,1,2,2-tetrafluoroethanamine Synonym
- 1,1,2,2-Tetrafluoro-N,N-dimethylethan-1-amine Synonym
- 1,1,2,2-Tetrafluoro-N,N-dimethylethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.10 g/mol | CAS Common Chemistry |
| 145.099 g/mol | RDKit | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 1.4059 | RDKit |
| Molar Refractivity | 24.63799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 145.051462104 g/mol | RDKit |
| Boiling Point | 32 °C @ 127 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 145.10 g/mol. Edit any field — others recompute live.
