About 1,3-dichloro-1,2,2-trifluoropropane
1,3-dichloro-1,2,2-trifluoropropane (PubChem CID 14794046) has the molecular formula C3H3Cl2F3
and a molecular weight of 166.96 g/mol. Its IUPAC name is 1,3-dichloro-1,2,2-trifluoropropane.
Molecular Properties
| Compound Name | 1,3-dichloro-1,2,2-trifluoropropane |
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| PubChem CID | 14794046 |
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| Molecular Formula | C3H3Cl2F3 |
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| Molecular Weight | 166.96 g/mol |
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| Exact Mass | 165.96 |
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| IUPAC Name | 1,3-dichloro-1,2,2-trifluoropropane |
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| SMILES | FC(Cl)C(F)(F)CCl |
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| InChI | InChI=1S/C3H3Cl2F3/c4-1-3(7,8)2(5)6/h2H,1H2 |
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| InChIKey | RYTOJOQLZSURDX-UHFFFAOYSA-N |
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| XLogP | 2.39 |
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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 | 2 |
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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 |
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| MW ≤ 500 | 166.96 |
| LogP ≤ 5 | 2.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,3-dichloro-1,2,2-trifluoropropane?
The IUPAC name of 1,3-dichloro-1,2,2-trifluoropropane (CID 14794046) is 1,3-dichloro-1,2,2-trifluoropropane.
What is the SMILES notation for 1,3-dichloro-1,2,2-trifluoropropane?
The canonical SMILES for 1,3-dichloro-1,2,2-trifluoropropane is FC(Cl)C(F)(F)CCl.
What is the InChIKey of 1,3-dichloro-1,2,2-trifluoropropane?
The InChIKey is RYTOJOQLZSURDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2F3/c4-1-3(7,8)2(5)6/h2H,1H2.
What are the key properties of 1,3-dichloro-1,2,2-trifluoropropane?
1,3-dichloro-1,2,2-trifluoropropane has a molecular weight of 166.96 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,2,2-trifluoropropane is sourced from PubChem (CID 14794046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).