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(2,2,2-Trifluoroethyl)Hydrazine
CAS: 5042-30-8 | C2H5F3N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5042-30-8
Molecular Formula:
C2H5F3N2
Molecular Weight:
114.07000000000001 g/mol
Names and Synonyms:
(2,2,2-Trifluoroethyl)Hydrazine
Hydrazine, (2,2,2-trifluoroethyl)-
(2,2,2-Trifluoroethyl)hydrazine
Trifluoroethylhydrazine
1-(2,2,2-Trifluoroethyl)hydrazine
NSC 111156
Identifiers:
SMILES:
NNCC(F)(F)F
InChI:
InChI=1S/C2H5F3N2/c3-2(4,5)1-7-6/h7H,1,6H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 114.07 g/mol | Legacy Database |
| cas-boiling-point | 101-107 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | FC(F)(F)CNN None | Legacy Database |
| cas-inchi | InChI=1S/C2H5F3N2/c3-2(4,5)1-7-6/h7H,1,6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OPMFFAOEPFATTG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (2,2,2-Trifluoroethyl)hydrazine None | Legacy Database |
| LogP | 0.0119999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.07000000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.04048282 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.05 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.2451 | RDKit |
