About [(2R)-1,1,1-trifluoropropan-2-yl] formate
[(2R)-1,1,1-trifluoropropan-2-yl] formate (PubChem CID 87244754) has the molecular formula C4H5F3O2
and a molecular weight of 142.08 g/mol. Its IUPAC name is [(2R)-1,1,1-trifluoropropan-2-yl] formate.
Molecular Properties
| Compound Name | [(2R)-1,1,1-trifluoropropan-2-yl] formate |
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| PubChem CID | 87244754 |
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| Molecular Formula | C4H5F3O2 |
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| Molecular Weight | 142.08 g/mol |
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| Exact Mass | 142.02 |
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| IUPAC Name | [(2R)-1,1,1-trifluoropropan-2-yl] formate |
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| SMILES | C[C@@H](OC=O)C(F)(F)F |
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| InChI | InChI=1S/C4H5F3O2/c1-3(9-2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1 |
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| InChIKey | OHPXFTAHPRUPFM-GSVOUGTGSA-N |
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| XLogP | 1.11 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
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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 | 142.08 |
| LogP ≤ 5 | 1.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(2R)-1,1,1-trifluoropropan-2-yl] formate?
The IUPAC name of [(2R)-1,1,1-trifluoropropan-2-yl] formate (CID 87244754) is [(2R)-1,1,1-trifluoropropan-2-yl] formate.
What is the SMILES notation for [(2R)-1,1,1-trifluoropropan-2-yl] formate?
The canonical SMILES for [(2R)-1,1,1-trifluoropropan-2-yl] formate is C[C@@H](OC=O)C(F)(F)F.
What is the InChIKey of [(2R)-1,1,1-trifluoropropan-2-yl] formate?
The InChIKey is OHPXFTAHPRUPFM-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H5F3O2/c1-3(9-2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1.
What are the key properties of [(2R)-1,1,1-trifluoropropan-2-yl] formate?
[(2R)-1,1,1-trifluoropropan-2-yl] formate has a molecular weight of 142.08 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1,1-trifluoropropan-2-yl] formate is sourced from PubChem (CID 87244754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).