About 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene
1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene (PubChem CID 134932147) has the molecular formula C15H10F4Se2
and a molecular weight of 424.16 g/mol. Its IUPAC name is 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene.
Molecular Properties
| Compound Name | 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene |
| PubChem CID | 134932147 |
| Molecular Formula | C15H10F4Se2 |
| Molecular Weight | 424.16 g/mol |
| Exact Mass | 425.90 |
| IUPAC Name | 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene |
| SMILES | F/C=C(/[Se]c1ccccc1)[Se]c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H10F4Se2/c16-10-14(20-12-4-2-1-3-5-12)21-13-8-6-11(7-9-13)15(17,18)19/h1-10H/b14-10- |
| InChIKey | WIEZWGFPYHVOTE-UVTDQMKNSA-N |
| XLogP | 2.83 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 424.16 |
| LogP ≤ 5 | 2.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene (CID 134932147) is 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene is F/C=C(/[Se]c1ccccc1)[Se]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene?
The InChIKey is WIEZWGFPYHVOTE-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H10F4Se2/c16-10-14(20-12-4-2-1-3-5-12)21-13-8-6-11(7-9-13)15(17,18)19/h1-10H/b14-10-.
What are the key properties of 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene?
1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene has a molecular weight of 424.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-fluoro-1-phenylselanylethenyl]selanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 134932147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).