About 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (PubChem CID 82004246) has the molecular formula C6H13F2NO
and a molecular weight of 153.17 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.
Molecular Properties
| Compound Name | 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine |
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| PubChem CID | 82004246 |
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| Molecular Formula | C6H13F2NO |
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| Molecular Weight | 153.17 g/mol |
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| Exact Mass | 153.10 |
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| IUPAC Name | 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine |
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| SMILES | CNCCCOCC(F)F |
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| InChI | InChI=1S/C6H13F2NO/c1-9-3-2-4-10-5-6(7)8/h6,9H,2-5H2,1H3 |
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| InChIKey | VQPBRTDTOJBTII-UHFFFAOYSA-N |
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| XLogP | 0.88 |
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| TPSA | 21.26 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 153.17 |
| LogP ≤ 5 | 0.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (CID 82004246) is 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is CNCCCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The InChIKey is VQPBRTDTOJBTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-9-3-2-4-10-5-6(7)8/h6,9H,2-5H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 82004246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).