About N-fluoro-N,2-dimethylpropan-1-amine
N-fluoro-N,2-dimethylpropan-1-amine (PubChem CID 18475298) has the molecular formula C5H12FN
and a molecular weight of 105.16 g/mol. Its IUPAC name is N-fluoro-N,2-dimethylpropan-1-amine.
Molecular Properties
| Compound Name | N-fluoro-N,2-dimethylpropan-1-amine |
|---|
| PubChem CID | 18475298 |
|---|
| Molecular Formula | C5H12FN |
|---|
| Molecular Weight | 105.16 g/mol |
|---|
| Exact Mass | 105.10 |
|---|
| IUPAC Name | N-fluoro-N,2-dimethylpropan-1-amine |
|---|
| SMILES | CC(C)CN(C)F |
|---|
| InChI | InChI=1S/C5H12FN/c1-5(2)4-7(3)6/h5H,4H2,1-3H3 |
|---|
| InChIKey | JDTGFAQFXZGQQE-UHFFFAOYSA-N |
|---|
| XLogP | 1.46 |
|---|
| TPSA | 3.24 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 7 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 105.16 |
| LogP ≤ 5 | 1.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N-halo', 'substructure': 'N/A'} |
|---|
Analyze N-fluoro-N,2-dimethylpropan-1-amine 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-fluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of N-fluoro-N,2-dimethylpropan-1-amine (CID 18475298) is N-fluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-fluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-fluoro-N,2-dimethylpropan-1-amine is CC(C)CN(C)F.
What is the InChIKey of N-fluoro-N,2-dimethylpropan-1-amine?
The InChIKey is JDTGFAQFXZGQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-5(2)4-7(3)6/h5H,4H2,1-3H3.
What are the key properties of N-fluoro-N,2-dimethylpropan-1-amine?
N-fluoro-N,2-dimethylpropan-1-amine has a molecular weight of 105.16 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 18475298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).