About (1R,2R)-1,2,3-trichloro-1-fluoropropane
(1R,2R)-1,2,3-trichloro-1-fluoropropane (PubChem CID 23235019) has the molecular formula C3H4Cl3F
and a molecular weight of 165.42 g/mol. Its IUPAC name is (1R,2R)-1,2,3-trichloro-1-fluoropropane.
Molecular Properties
| Compound Name | (1R,2R)-1,2,3-trichloro-1-fluoropropane |
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| PubChem CID | 23235019 |
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| Molecular Formula | C3H4Cl3F |
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| Molecular Weight | 165.42 g/mol |
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| Exact Mass | 163.94 |
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| IUPAC Name | (1R,2R)-1,2,3-trichloro-1-fluoropropane |
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| SMILES | F[C@H](Cl)[C@H](Cl)CCl |
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| InChI | InChI=1S/C3H4Cl3F/c4-1-2(5)3(6)7/h2-3H,1H2/t2-,3+/m1/s1 |
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| InChIKey | OTOOLTPPLILIDB-GBXIJSLDSA-N |
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| XLogP | 2.37 |
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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 | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 165.42 |
| LogP ≤ 5 | 2.37 |
| 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 (1R,2R)-1,2,3-trichloro-1-fluoropropane?
The IUPAC name of (1R,2R)-1,2,3-trichloro-1-fluoropropane (CID 23235019) is (1R,2R)-1,2,3-trichloro-1-fluoropropane.
What is the SMILES notation for (1R,2R)-1,2,3-trichloro-1-fluoropropane?
The canonical SMILES for (1R,2R)-1,2,3-trichloro-1-fluoropropane is F[C@H](Cl)[C@H](Cl)CCl.
What is the InChIKey of (1R,2R)-1,2,3-trichloro-1-fluoropropane?
The InChIKey is OTOOLTPPLILIDB-GBXIJSLDSA-N. The full InChI is InChI=1S/C3H4Cl3F/c4-1-2(5)3(6)7/h2-3H,1H2/t2-,3+/m1/s1.
What are the key properties of (1R,2R)-1,2,3-trichloro-1-fluoropropane?
(1R,2R)-1,2,3-trichloro-1-fluoropropane has a molecular weight of 165.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2,3-trichloro-1-fluoropropane is sourced from PubChem (CID 23235019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).