Back to Search
Molecule
2,2,2-Trifluoroethylamine
CAS: 753-90-2 · C2H4F3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 753-90-2
- Molecular Formula
- C2H4F3N
- Molecular Mass
- 99.06 g/mol
Identifiers
CAS Registry Number
753-90-2
SMILES
NCC(F)(F)F
InChI Key
KIPSRYDSZQRPEA-UHFFFAOYSA-N
InChI
InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
Names and Synonyms
- 2,2,2-Trifluoroethylamine Systematic Name
- Ethanamine, 2,2,2-trifluoro- Synonym
- Ethylamine, 2,2,2-trifluoro- Synonym
- 2,2,2-Trifluoroethanamine Synonym
- Trifluoroethylamine Synonym
- 2,2,2-Trifluoroethylamine Synonym
- TFEA Synonym
- β,β,β-Trifluoroethylamine Synonym
- 1-Amino-2,2,2-trifluoroethane Synonym
- 2,2,2-Trifluoro-1-ethanamine Synonym
- 2,2,2-Trifluoro-1-aminoethane Synonym
- 2,2,2-Trifluoroethaneamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.06 g/mol | CAS Common Chemistry |
| 99.055 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.2452 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 37.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CN | CAS Common Chemistry |
| InChI | InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KIPSRYDSZQRPEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,2-Trifluoroethylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.5074 | RDKit |
| Molar Refractivity | 15.109400000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 99.029583788 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.
External Resources
Convert
Quick conversion
MW = 99.06 g/mol; density = 1.250 g/mL. Edit any field — others recompute live.
