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Molecule
[3,5-Bis(Trifluoromethyl)Phenyl]Hydrazine
CAS: 886-35-1 · C8H6F6N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 886-35-1
- Molecular Formula
- C8H6F6N2
- Molecular Mass
- 244.14 g/mol
Identifiers
CAS Registry Number
886-35-1
SMILES
NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI Key
OULWACKZBGBRNT-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2
Names and Synonyms
- [3,5-Bis(Trifluoromethyl)Phenyl]Hydrazine Systematic Name
- Hydrazine, [3,5-bis(trifluoromethyl)phenyl]- Synonym
- Hydrazine, (α,α,α,α′,α′,α′-hexafluoro-3,5-xylyl)- Synonym
- [3,5-Bis(trifluoromethyl)phenyl]hydrazine Synonym
- 3,5-Bis(trifluoromethyl)phenyl hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.14 g/mol | CAS Common Chemistry |
| 244.13799999999998 g/mol | RDKit | |
| 244.138 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)NN | CAS Common Chemistry |
| InChI | InChI=1S/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OULWACKZBGBRNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81-83 °C | CAS Common Chemistry |
| Name | [3,5-Bis(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 | 3.0098000000000003 | RDKit |
| 3.0098 | RDKit | |
| 3.07 | chempirical lib | |
| Molar Refractivity | 44.256099999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 244.043517512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| 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.
External Resources
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MW = 244.14 g/mol. Edit any field — others recompute live.
