About 2-ethoxy-N-(2-fluoroethyl)aniline
2-ethoxy-N-(2-fluoroethyl)aniline (PubChem CID 80699443) has the molecular formula C10H14FNO
and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-ethoxy-N-(2-fluoroethyl)aniline.
Molecular Properties
| Compound Name | 2-ethoxy-N-(2-fluoroethyl)aniline |
| PubChem CID | 80699443 |
| Molecular Formula | C10H14FNO |
| Molecular Weight | 183.23 g/mol |
| Exact Mass | 183.11 |
| IUPAC Name | 2-ethoxy-N-(2-fluoroethyl)aniline |
| SMILES | CCOc1ccccc1NCCF |
| InChI | InChI=1S/C10H14FNO/c1-2-13-10-6-4-3-5-9(10)12-8-7-11/h3-6,12H,2,7-8H2,1H3 |
| InChIKey | UWFZALBNFCBUJG-UHFFFAOYSA-N |
| XLogP | 2.47 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 183.23 |
| LogP ≤ 5 | 2.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxy-N-(2-fluoroethyl)aniline?
The IUPAC name of 2-ethoxy-N-(2-fluoroethyl)aniline (CID 80699443) is 2-ethoxy-N-(2-fluoroethyl)aniline.
What is the SMILES notation for 2-ethoxy-N-(2-fluoroethyl)aniline?
The canonical SMILES for 2-ethoxy-N-(2-fluoroethyl)aniline is CCOc1ccccc1NCCF.
What is the InChIKey of 2-ethoxy-N-(2-fluoroethyl)aniline?
The InChIKey is UWFZALBNFCBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-13-10-6-4-3-5-9(10)12-8-7-11/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 2-ethoxy-N-(2-fluoroethyl)aniline?
2-ethoxy-N-(2-fluoroethyl)aniline has a molecular weight of 183.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-fluoroethyl)aniline is sourced from PubChem (CID 80699443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).