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Molecule
[2,3,5,6-Tetrafluoro-4-(Trifluoromethyl)Phenyl]Hydrazine
CAS: 1868-85-5 · C7H3F7N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1868-85-5
- Molecular Formula
- C7H3F7N2
- Molecular Mass
- 248.10 g/mol
Identifiers
CAS Registry Number
1868-85-5
SMILES
NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChI Key
TVSDZBUZBHRNBV-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F7N2/c8-2-1(7(12,13)14)3(9)5(11)6(16-15)4(2)10/h16H,15H2
Names and Synonyms
- [2,3,5,6-Tetrafluoro-4-(Trifluoromethyl)Phenyl]Hydrazine Systematic Name
- Hydrazine, [2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]- Synonym
- Hydrazine, (heptafluoro-p-tolyl)- Synonym
- [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine Synonym
- NSC 170067 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.10 g/mol | CAS Common Chemistry |
| 248.10099999999994 g/mol | RDKit | |
| 248.101 g/mol | RDKit | |
| Canonical SMILES | FC=1C(F)=C(C(F)=C(F)C1NN)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C7H3F7N2/c8-2-1(7(12,13)14)3(9)5(11)6(16-15)4(2)10/h16H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TVSDZBUZBHRNBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84 °C | CAS Common Chemistry |
| Name | [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 2.5474 | RDKit |
| Molar Refractivity | 39.086099999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 248.018445636 g/mol | RDKit |
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 |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 248.10 g/mol. Edit any field — others recompute live.
