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Molecule
(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 Mass
- 114.07 g/mol
Identifiers
CAS Registry Number
5042-30-8
SMILES
NNCC(F)(F)F
InChI Key
OPMFFAOEPFATTG-UHFFFAOYSA-N
InChI
InChI=1S/C2H5F3N2/c3-2(4,5)1-7-6/h7H,1,6H2
Names and Synonyms
- (2,2,2-Trifluoroethyl)Hydrazine Synonym
- Hydrazine, (2,2,2-trifluoroethyl)- Synonym
- (2,2,2-Trifluoroethyl)hydrazine Synonym
- Trifluoroethylhydrazine Synonym
- 1-(2,2,2-Trifluoroethyl)hydrazine Synonym
- NSC 111156 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.07 g/mol | CAS Common Chemistry |
| 114.07000000000001 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)CNN | CAS Common Chemistry |
| InChI | InChI=1S/C2H5F3N2/c3-2(4,5)1-7-6/h7H,1,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OPMFFAOEPFATTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (2,2,2-Trifluoroethyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.0119999999999999 | RDKit |
| 0.012 | RDKit | |
| Molar Refractivity | 18.2451 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.04048282 g/mol | RDKit |
| Boiling Point | 101-107 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 114.07 g/mol. Edit any field — others recompute live.
