About N-[(Z)-but-1-enyl]-2-fluoroethanimine
N-[(Z)-but-1-enyl]-2-fluoroethanimine (PubChem CID 142996602) has the molecular formula C6H10FN
and a molecular weight of 115.15 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-2-fluoroethanimine.
Molecular Properties
| Compound Name | N-[(Z)-but-1-enyl]-2-fluoroethanimine |
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| PubChem CID | 142996602 |
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| Molecular Formula | C6H10FN |
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| Molecular Weight | 115.15 g/mol |
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| Exact Mass | 115.08 |
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| IUPAC Name | N-[(Z)-but-1-enyl]-2-fluoroethanimine |
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| SMILES | CC/C=C\N=C\CF |
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| InChI | InChI=1S/C6H10FN/c1-2-3-5-8-6-4-7/h3,5-6H,2,4H2,1H3/b5-3-,8-6+ |
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| InChIKey | OJCRKFVSXCIYCY-CUKJDEOPSA-N |
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| XLogP | 1.95 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 115.15 |
| LogP ≤ 5 | 1.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(Z)-but-1-enyl]-2-fluoroethanimine?
The IUPAC name of N-[(Z)-but-1-enyl]-2-fluoroethanimine (CID 142996602) is N-[(Z)-but-1-enyl]-2-fluoroethanimine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-2-fluoroethanimine?
The canonical SMILES for N-[(Z)-but-1-enyl]-2-fluoroethanimine is CC/C=C\N=C\CF.
What is the InChIKey of N-[(Z)-but-1-enyl]-2-fluoroethanimine?
The InChIKey is OJCRKFVSXCIYCY-CUKJDEOPSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-3-5-8-6-4-7/h3,5-6H,2,4H2,1H3/b5-3-,8-6+.
What are the key properties of N-[(Z)-but-1-enyl]-2-fluoroethanimine?
N-[(Z)-but-1-enyl]-2-fluoroethanimine has a molecular weight of 115.15 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-2-fluoroethanimine is sourced from PubChem (CID 142996602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).