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Molecule
N-Ethyl-2-Fluorobenzenamine
CAS: 2707-64-4 · C8H10FN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2707-64-4
- Molecular Formula
- C8H10FN
- Molecular Mass
- 139.17 g/mol
Identifiers
CAS Registry Number
2707-64-4
SMILES
CCNc1ccccc1F
InChI Key
QNSZDXLOSMUCPQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10FN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
Names and Synonyms
- N-Ethyl-2-Fluorobenzenamine Common Name
- Benzenamine, N-ethyl-2-fluoro- Synonym
- Aniline, N-ethyl-o-fluoro- Synonym
- N-Ethyl-2-fluorobenzenamine Synonym
- 2-Fluoro-N-ethylaniline Synonym
- N-Ethyl-N-(2-fluorophenyl)amine Synonym
- N-Ethyl-2-fluoroaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.17 g/mol | CAS Common Chemistry |
| 139.17299999999994 g/mol | RDKit | |
| 139.173 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC=CC1NCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H10FN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QNSZDXLOSMUCPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-2-fluorobenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.2575000000000003 | RDKit |
| 2.2575 | RDKit | |
| Molar Refractivity | 40.56370000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 139.07972754 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.
External Resources
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MW = 139.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10FN.
