About N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide (PubChem CID 143770359) has the molecular formula C5H7F3N2O
and a molecular weight of 168.12 g/mol. Its IUPAC name is N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide.
Molecular Properties
| Compound Name | N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide |
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| PubChem CID | 143770359 |
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| Molecular Formula | C5H7F3N2O |
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| Molecular Weight | 168.12 g/mol |
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| Exact Mass | 168.05 |
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| IUPAC Name | N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide |
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| SMILES | C=N/C(C)=N\OCC(F)(F)F |
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| InChI | InChI=1S/C5H7F3N2O/c1-4(9-2)10-11-3-5(6,7)8/h2-3H2,1H3/b10-4- |
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| InChIKey | UHUDUIDXESDPPM-WMZJFQQLSA-N |
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| XLogP | 1.60 |
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| TPSA | 33.95 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 11 |
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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 | 168.12 |
| LogP ≤ 5 | 1.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
The IUPAC name of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide (CID 143770359) is N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide.
What is the SMILES notation for N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
The canonical SMILES for N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide is C=N/C(C)=N\OCC(F)(F)F.
What is the InChIKey of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
The InChIKey is UHUDUIDXESDPPM-WMZJFQQLSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-4(9-2)10-11-3-5(6,7)8/h2-3H2,1H3/b10-4-.
What are the key properties of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide has a molecular weight of 168.12 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide is sourced from PubChem (CID 143770359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).