About 1-chloro-1,2,2-trifluoroethene;ethenone
1-chloro-1,2,2-trifluoroethene;ethenone (PubChem CID 159920563) has the molecular formula C4H2ClF3O
and a molecular weight of 158.51 g/mol. Its IUPAC name is 1-chloro-1,2,2-trifluoroethene;ethenone.
Molecular Properties
| Compound Name | 1-chloro-1,2,2-trifluoroethene;ethenone |
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| PubChem CID | 159920563 |
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| Molecular Formula | C4H2ClF3O |
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| Molecular Weight | 158.51 g/mol |
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| Exact Mass | 157.97 |
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| IUPAC Name | 1-chloro-1,2,2-trifluoroethene;ethenone |
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| SMILES | C=C=O.FC(F)=C(F)Cl |
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| InChI | InChI=1S/C2ClF3.C2H2O/c3-1(4)2(5)6;1-2-3/h;1H2 |
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| InChIKey | NYIODTPKSUXRSH-UHFFFAOYSA-N |
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| XLogP | 2.26 |
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| TPSA | 17.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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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 | 158.51 |
| LogP ≤ 5 | 2.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'ketene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-chloro-1,2,2-trifluoroethene;ethenone?
The IUPAC name of 1-chloro-1,2,2-trifluoroethene;ethenone (CID 159920563) is 1-chloro-1,2,2-trifluoroethene;ethenone.
What is the SMILES notation for 1-chloro-1,2,2-trifluoroethene;ethenone?
The canonical SMILES for 1-chloro-1,2,2-trifluoroethene;ethenone is C=C=O.FC(F)=C(F)Cl.
What is the InChIKey of 1-chloro-1,2,2-trifluoroethene;ethenone?
The InChIKey is NYIODTPKSUXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF3.C2H2O/c3-1(4)2(5)6;1-2-3/h;1H2.
What are the key properties of 1-chloro-1,2,2-trifluoroethene;ethenone?
1-chloro-1,2,2-trifluoroethene;ethenone has a molecular weight of 158.51 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2-trifluoroethene;ethenone is sourced from PubChem (CID 159920563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).