Back to Search
N-Ethyl-2-Fluorobenzenamine
CAS: 2707-64-4 | C8H10FN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2707-64-4
Molecular Formula:
C8H10FN
Molecular Weight:
139.17299999999994 g/mol
Names and Synonyms:
N-Ethyl-2-Fluorobenzenamine
N-Ethyl-2-fluoroaniline
N-Ethyl-N-(2-fluorophenyl)amine
2-Fluoro-N-ethylaniline
N-Ethyl-2-fluorobenzenamine
Aniline, N-ethyl-o-fluoro-
Benzenamine, N-ethyl-2-fluoro-
Identifiers:
SMILES:
CCNc1ccccc1F
InChI:
InChI=1S/C8H10FN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
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 | 139.17299999999994 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 139.07972754 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 2.2575000000000003 | RDKit |
| molecular_mass | 139.17 g/mol | Legacy Database |
| cas-canonical-smile | FC=1C=CC=CC1NCC None | Legacy Database |
| cas-inchi | InChI=1S/C8H10FN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QNSZDXLOSMUCPQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-Ethyl-2-fluorobenzenamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.56370000000002 | RDKit |
