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Molecule
(2-Fluorophenyl)Hydrazine
CAS: 2368-80-1 · C6H7FN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2368-80-1
- Molecular Formula
- C6H7FN2
- Molecular Mass
- 126.13 g/mol
Identifiers
CAS Registry Number
2368-80-1
SMILES
NNc1ccccc1F
InChI Key
PENWGQNPFRRVQI-UHFFFAOYSA-N
InChI
InChI=1S/C6H7FN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2
Names and Synonyms
- (2-Fluorophenyl)Hydrazine Common Name
- Hydrazine, (2-fluorophenyl)- Synonym
- Hydrazine, (o-fluorophenyl)- Synonym
- (2-Fluorophenyl)hydrazine Synonym
- (o-Fluorophenyl)hydrazine Synonym
- 2-Fluorophenylhydrazine Synonym
- 1-(2-Fluorophenyl)hydrazine Synonym
- N-(2-Fluorophenyl)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.13 g/mol | CAS Common Chemistry |
| 126.13399999999999 g/mol | RDKit | |
| 126.134 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC=CC1NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7FN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PENWGQNPFRRVQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (2-Fluorophenyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.1113000000000002 | RDKit |
| 1.1113 | RDKit | |
| Molar Refractivity | 34.21010000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 126.05932644399999 g/mol | RDKit |
| Boiling Point | 95-96 °C @ 9 Torr | CAS Common Chemistry |
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
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MW = 126.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7FN2.
