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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 Weight:
146.164 g/mol
Names and Synonyms:
1-Fluoronaphthalene
NSC 4690
α-Fluoronaphthalene
1-Fluoronaphthalene
Naphthalene, 1-fluoro-
Identifiers:
SMILES:
Fc1cccc2ccccc12
InChI:
InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 146.16 g/mol | Legacy Database |
| density | 1.13 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Fluoronaphthalene None | Legacy Database |
| cas-boiling-point | 215 °C None | Legacy Database |
| cas-canonical-smile | FC1=CC=CC=2C=CC=CC12 None | Legacy Database |
| cas-density | 1.1339 g/cm3 @ Temp: 19 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H None | Legacy Database |
| cas-inchi-key | InChIKey=CWLKTJOTWITYSI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -9 °C None | Legacy Database |
| cas-name | 1-Fluoronaphthalene None | Legacy Database |
| wikipedia-name | 1-Fluoronaphthalene None | Legacy Database |
| LogP | 2.978900000000001 | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.053178444 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.90600000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.164 g/mol | RDKit |
