About fluoro 2-chloro-2,2-difluoroacetate
fluoro 2-chloro-2,2-difluoroacetate (PubChem CID 18938590) has the molecular formula C2ClF3O2
and a molecular weight of 148.47 g/mol. Its IUPAC name is fluoro 2-chloro-2,2-difluoroacetate.
Molecular Properties
| Compound Name | fluoro 2-chloro-2,2-difluoroacetate |
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| PubChem CID | 18938590 |
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| Molecular Formula | C2ClF3O2 |
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| Molecular Weight | 148.47 g/mol |
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| Exact Mass | 147.95 |
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| IUPAC Name | fluoro 2-chloro-2,2-difluoroacetate |
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| SMILES | O=C(OF)C(F)(F)Cl |
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| InChI | InChI=1S/C2ClF3O2/c3-2(4,5)1(7)8-6 |
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| InChIKey | REDUWFYDWILZPF-UHFFFAOYSA-N |
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| XLogP | 1.25 |
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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 | 1 |
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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 | 148.47 |
| LogP ≤ 5 | 1.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 fluoro 2-chloro-2,2-difluoroacetate?
The IUPAC name of fluoro 2-chloro-2,2-difluoroacetate (CID 18938590) is fluoro 2-chloro-2,2-difluoroacetate.
What is the SMILES notation for fluoro 2-chloro-2,2-difluoroacetate?
The canonical SMILES for fluoro 2-chloro-2,2-difluoroacetate is O=C(OF)C(F)(F)Cl.
What is the InChIKey of fluoro 2-chloro-2,2-difluoroacetate?
The InChIKey is REDUWFYDWILZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF3O2/c3-2(4,5)1(7)8-6.
What are the key properties of fluoro 2-chloro-2,2-difluoroacetate?
fluoro 2-chloro-2,2-difluoroacetate has a molecular weight of 148.47 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-chloro-2,2-difluoroacetate is sourced from PubChem (CID 18938590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).