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1-Fluoronaphthalene
CAS: 321-38-0 | C10H7F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 321-38-0
- Molecular Formula
- C10H7F
- Molecular Mass
- 146.16 g/mol
Identifiers
CAS Registry Number
321-38-0
SMILES
Fc1cccc2ccccc12
InChI Key
CWLKTJOTWITYSI-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Names and Synonyms
- 1-Fluoronaphthalene Systematic Name
- Naphthalene, 1-fluoro- Synonym
- 1-Fluoronaphthalene Synonym
- α-Fluoronaphthalene Synonym
- NSC 4690 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 | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1339 g/cm3 @ 19 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Fluoronaphthalene | CAS Common Chemistry |
| Boiling Point | 215 °C | CAS Common Chemistry |
| Canonical SMILES | FC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=CWLKTJOTWITYSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -9 °C | CAS Common Chemistry |
| Name | 1-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.
