About N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine (PubChem CID 166136882) has the molecular formula C8H18F2N2
and a molecular weight of 180.24 g/mol. Its IUPAC name is N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine.
Molecular Properties
| Compound Name | N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine |
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| PubChem CID | 166136882 |
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| Molecular Formula | C8H18F2N2 |
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| Molecular Weight | 180.24 g/mol |
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| Exact Mass | 180.14 |
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| IUPAC Name | N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine |
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| SMILES | CC(C)CN(CN)CC(C)(F)F |
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| InChI | InChI=1S/C8H18F2N2/c1-7(2)4-12(6-11)5-8(3,9)10/h7H,4-6,11H2,1-3H3 |
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| InChIKey | VTWLXOXFGAOPRV-UHFFFAOYSA-N |
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| XLogP | 1.52 |
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| TPSA | 29.26 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 12 |
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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 | 180.24 |
| LogP ≤ 5 | 1.52 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
The IUPAC name of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine (CID 166136882) is N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine.
What is the SMILES notation for N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
The canonical SMILES for N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine is CC(C)CN(CN)CC(C)(F)F.
What is the InChIKey of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
The InChIKey is VTWLXOXFGAOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2/c1-7(2)4-12(6-11)5-8(3,9)10/h7H,4-6,11H2,1-3H3.
What are the key properties of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine has a molecular weight of 180.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine is sourced from PubChem (CID 166136882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).