About [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid
[(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid (PubChem CID 10234709) has the molecular formula C19H17F6N2O5P
and a molecular weight of 498.32 g/mol. Its IUPAC name is [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid.
Molecular Properties
| Compound Name | [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid |
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| PubChem CID | 10234709 |
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| Molecular Formula | C19H17F6N2O5P |
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| Molecular Weight | 498.32 g/mol |
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| Exact Mass | 498.08 |
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| IUPAC Name | [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid |
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| SMILES | O=C1N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1P(=O)(O)O |
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| InChI | InChI=1S/C19H17F6N2O5P/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-32-11-17(13-4-2-1-3-5-13)10-27(16(28)26-17)33(29,30)31/h1-8H,9-11H2,(H,26,28)(H2,29,30,31)/t17-/m1/s1 |
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| InChIKey | HWIJHHXWQJMRES-QGZVFWFLSA-N |
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| XLogP | 4.25 |
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| TPSA | 99.10 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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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 | 498.32 |
| LogP ≤ 5 | 4.25 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid?
The IUPAC name of [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid (CID 10234709) is [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid.
What is the SMILES notation for [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid?
The canonical SMILES for [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid is O=C1N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1P(=O)(O)O.
What is the InChIKey of [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid?
The InChIKey is HWIJHHXWQJMRES-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17F6N2O5P/c20-18(21,22)14-6-12(7-15(8-14)19(23,24)25)9-32-11-17(13-4-2-1-3-5-13)10-27(16(28)26-17)33(29,30)31/h1-8H,9-11H2,(H,26,28)(H2,29,30,31)/t17-/m1/s1.
What are the key properties of [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid?
[(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid has a molecular weight of 498.32 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid is sourced from PubChem (CID 10234709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).