About N-(2-fluoroethyl)-2-prop-2-enoxyethanamine
N-(2-fluoroethyl)-2-prop-2-enoxyethanamine (PubChem CID 130501726) has the molecular formula C7H14FNO
and a molecular weight of 147.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-prop-2-enoxyethanamine.
Molecular Properties
| Compound Name | N-(2-fluoroethyl)-2-prop-2-enoxyethanamine |
|---|
| PubChem CID | 130501726 |
|---|
| Molecular Formula | C7H14FNO |
|---|
| Molecular Weight | 147.19 g/mol |
|---|
| Exact Mass | 147.11 |
|---|
| IUPAC Name | N-(2-fluoroethyl)-2-prop-2-enoxyethanamine |
|---|
| SMILES | C=CCOCCNCCF |
|---|
| InChI | InChI=1S/C7H14FNO/c1-2-6-10-7-5-9-4-3-8/h2,9H,1,3-7H2 |
|---|
| InChIKey | LVSAASZUHUEVKJ-UHFFFAOYSA-N |
|---|
| XLogP | 0.75 |
|---|
| TPSA | 21.26 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 147.19 |
| LogP ≤ 5 | 0.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze N-(2-fluoroethyl)-2-prop-2-enoxyethanamine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-(2-fluoroethyl)-2-prop-2-enoxyethanamine?
The IUPAC name of N-(2-fluoroethyl)-2-prop-2-enoxyethanamine (CID 130501726) is N-(2-fluoroethyl)-2-prop-2-enoxyethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-2-prop-2-enoxyethanamine?
The canonical SMILES for N-(2-fluoroethyl)-2-prop-2-enoxyethanamine is C=CCOCCNCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-prop-2-enoxyethanamine?
The InChIKey is LVSAASZUHUEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-6-10-7-5-9-4-3-8/h2,9H,1,3-7H2.
What are the key properties of N-(2-fluoroethyl)-2-prop-2-enoxyethanamine?
N-(2-fluoroethyl)-2-prop-2-enoxyethanamine has a molecular weight of 147.19 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-prop-2-enoxyethanamine is sourced from PubChem (CID 130501726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).