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2-Fluoronaphthalene
CAS: 323-09-1 | C10H7F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 323-09-1
- Molecular Formula
- C10H7F
- Molecular Mass
- 146.16 g/mol
Identifiers
CAS Registry Number
323-09-1
SMILES
Fc1ccc2ccccc2c1
InChI Key
BAGQBTMEEISJLK-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
Names and Synonyms
- 2-Fluoronaphthalene Systematic Name
- Naphthalene, 2-fluoro- Synonym
- 2-Fluoronaphthalene Synonym
- β-Fluoronaphthalene Synonym
- NSC 26048 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.16 g/mol | CAS Common Chemistry |
| 146.164 g/mol | RDKit | |
| Boiling Point | 212 °C | CAS Common Chemistry |
| Canonical SMILES | FC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=BAGQBTMEEISJLK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61 °C | CAS Common Chemistry |
| Name | 2-Fluoronaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.978900000000001 | RDKit |
| 2.9789 | RDKit | |
| Molar Refractivity | 43.90600000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 146.053178444 g/mol | RDKit |
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.
