Back to Search
4-Fluoro-N-Methylaniline
CAS: 459-59-6 | C7H8FN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
459-59-6
Molecular Formula:
C7H8FN
Molecular Weight:
125.14599999999999 g/mol
Names and Synonyms:
4-Fluoro-N-Methylaniline
N-Methyl-p-fluoroaniline
N-Methyl-4-fluoroaniline
4-Fluoro-N-methylaniline
p-Fluoro-N-methylaniline
4-Fluoro-N-methylbenzenamine
Aniline, p-fluoro-N-methyl-
Benzenamine, 4-fluoro-N-methyl-
4-Fluoro-N-methylphenylamine
N-(4-Fluorophenyl)-N-methylamine
N-(4-Fluorophenyl)methylamine
Identifiers:
SMILES:
CNc1ccc(F)cc1
InChI:
InChI=1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 125.14599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.064077476 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.8673999999999997 | RDKit |
| molecular_mass | 125.15 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| cas-boiling-point | 79-80 °C @ Press: 10 Torr None | Legacy Database |
| cas-canonical-smile | FC1=CC=C(C=C1)NC None | Legacy Database |
| cas-density | 1.1057 g/cm3 @ Temp: 23 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VLWRKVBQUANIGI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Fluoro-N-methylaniline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.94670000000001 | RDKit |
