About carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane
carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane (PubChem CID 170604969) has the molecular formula C15H24CoF2N
and a molecular weight of 315.29 g/mol. Its IUPAC name is carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane.
Molecular Properties
| Compound Name | carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane |
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| PubChem CID | 170604969 |
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| Molecular Formula | C15H24CoF2N |
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| Molecular Weight | 315.29 g/mol |
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| Exact Mass | 315.12 |
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| IUPAC Name | carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane |
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| SMILES | CC1CC[CH-]CC1.N#CC1C(F)C[CH-]CC1F.[CH3-].[Co+3] |
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| InChI | InChI=1S/C7H8F2N.C7H13.CH3.Co/c8-6-2-1-3-7(9)5(6)4-10;1-7-5-3-2-4-6-7;;/h1,5-7H,2-3H2;2,7H,3-6H2,1H3;1H3;/q3*-1;+3 |
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| InChIKey | KMESESDALDFNNH-UHFFFAOYSA-N |
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| XLogP | 4.65 |
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| TPSA | 23.79 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 315.29 |
| LogP ≤ 5 | 4.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane?
The IUPAC name of carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane (CID 170604969) is carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane.
What is the SMILES notation for carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane?
The canonical SMILES for carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane is CC1CC[CH-]CC1.N#CC1C(F)C[CH-]CC1F.[CH3-].[Co+3].
What is the InChIKey of carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane?
The InChIKey is KMESESDALDFNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N.C7H13.CH3.Co/c8-6-2-1-3-7(9)5(6)4-10;1-7-5-3-2-4-6-7;;/h1,5-7H,2-3H2;2,7H,3-6H2,1H3;1H3;/q3*-1;+3.
What are the key properties of carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane?
carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane has a molecular weight of 315.29 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cobalt(3+);2,6-difluorocyclohexane-1-carbonitrile;methylcyclohexane is sourced from PubChem (CID 170604969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).