About 6-fluoro-3-methylidenehexane-1,5-diamine
6-fluoro-3-methylidenehexane-1,5-diamine (PubChem CID 88692995) has the molecular formula C7H15FN2
and a molecular weight of 146.21 g/mol. Its IUPAC name is 6-fluoro-3-methylidenehexane-1,5-diamine.
Molecular Properties
| Compound Name | 6-fluoro-3-methylidenehexane-1,5-diamine |
|---|
| PubChem CID | 88692995 |
|---|
| Molecular Formula | C7H15FN2 |
|---|
| Molecular Weight | 146.21 g/mol |
|---|
| Exact Mass | 146.12 |
|---|
| IUPAC Name | 6-fluoro-3-methylidenehexane-1,5-diamine |
|---|
| SMILES | C=C(CCN)CC(N)CF |
|---|
| InChI | InChI=1S/C7H15FN2/c1-6(2-3-9)4-7(10)5-8/h7H,1-5,9-10H2 |
|---|
| InChIKey | DGPYGYSCIMSOLC-UHFFFAOYSA-N |
|---|
| XLogP | 0.58 |
|---|
| TPSA | 52.04 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 146.21 |
| LogP ≤ 5 | 0.58 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze 6-fluoro-3-methylidenehexane-1,5-diamine 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 6-fluoro-3-methylidenehexane-1,5-diamine?
The IUPAC name of 6-fluoro-3-methylidenehexane-1,5-diamine (CID 88692995) is 6-fluoro-3-methylidenehexane-1,5-diamine.
What is the SMILES notation for 6-fluoro-3-methylidenehexane-1,5-diamine?
The canonical SMILES for 6-fluoro-3-methylidenehexane-1,5-diamine is C=C(CCN)CC(N)CF.
What is the InChIKey of 6-fluoro-3-methylidenehexane-1,5-diamine?
The InChIKey is DGPYGYSCIMSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-6(2-3-9)4-7(10)5-8/h7H,1-5,9-10H2.
What are the key properties of 6-fluoro-3-methylidenehexane-1,5-diamine?
6-fluoro-3-methylidenehexane-1,5-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylidenehexane-1,5-diamine is sourced from PubChem (CID 88692995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).