About (3R,4S)-3-chloro-4-fluorocyclohexene
(3R,4S)-3-chloro-4-fluorocyclohexene (PubChem CID 89146555) has the molecular formula C6H8ClF
and a molecular weight of 134.58 g/mol. Its IUPAC name is (3R,4S)-3-chloro-4-fluorocyclohexene.
Molecular Properties
| Compound Name | (3R,4S)-3-chloro-4-fluorocyclohexene |
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| PubChem CID | 89146555 |
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| Molecular Formula | C6H8ClF |
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| Molecular Weight | 134.58 g/mol |
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| Exact Mass | 134.03 |
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| IUPAC Name | (3R,4S)-3-chloro-4-fluorocyclohexene |
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| SMILES | F[C@H]1CCC=C[C@H]1Cl |
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| InChI | InChI=1S/C6H8ClF/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4H2/t5-,6+/m1/s1 |
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| InChIKey | HDJWUEPUWUJVDU-RITPCOANSA-N |
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| XLogP | 2.28 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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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 | 134.58 |
| LogP ≤ 5 | 2.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (3R,4S)-3-chloro-4-fluorocyclohexene?
The IUPAC name of (3R,4S)-3-chloro-4-fluorocyclohexene (CID 89146555) is (3R,4S)-3-chloro-4-fluorocyclohexene.
What is the SMILES notation for (3R,4S)-3-chloro-4-fluorocyclohexene?
The canonical SMILES for (3R,4S)-3-chloro-4-fluorocyclohexene is F[C@H]1CCC=C[C@H]1Cl.
What is the InChIKey of (3R,4S)-3-chloro-4-fluorocyclohexene?
The InChIKey is HDJWUEPUWUJVDU-RITPCOANSA-N. The full InChI is InChI=1S/C6H8ClF/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4H2/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3-chloro-4-fluorocyclohexene?
(3R,4S)-3-chloro-4-fluorocyclohexene has a molecular weight of 134.58 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-chloro-4-fluorocyclohexene is sourced from PubChem (CID 89146555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).