About [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane
[(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 21111793) has the molecular formula C34H26F12O2P2
and a molecular weight of 756.50 g/mol. Its IUPAC name is [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane.
Molecular Properties
| Compound Name | [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane |
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| PubChem CID | 21111793 |
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| Molecular Formula | C34H26F12O2P2 |
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| Molecular Weight | 756.50 g/mol |
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| Exact Mass | 756.12 |
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| IUPAC Name | [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane |
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| SMILES | FC(F)(F)c1ccc(P(O[C@@H]2CCCC[C@H]2OP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1 |
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| InChI | InChI=1S/C34H26F12O2P2/c35-31(36,37)21-5-13-25(14-6-21)49(26-15-7-22(8-16-26)32(38,39)40)47-29-3-1-2-4-30(29)48-50(27-17-9-23(10-18-27)33(41,42)43)28-19-11-24(12-20-28)34(44,45)46/h5-20,29-30H,1-4H2/t29-,30-/m1/s1 |
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| InChIKey | VPNOYZSKCVVPME-LOYHVIPDSA-N |
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| XLogP | 10.50 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 756.50 |
| LogP ≤ 5 | 10.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane (CID 21111793) is [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1ccc(P(O[C@@H]2CCCC[C@H]2OP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is VPNOYZSKCVVPME-LOYHVIPDSA-N. The full InChI is InChI=1S/C34H26F12O2P2/c35-31(36,37)21-5-13-25(14-6-21)49(26-15-7-22(8-16-26)32(38,39)40)47-29-3-1-2-4-30(29)48-50(27-17-9-23(10-18-27)33(41,42)43)28-19-11-24(12-20-28)34(44,45)46/h5-20,29-30H,1-4H2/t29-,30-/m1/s1.
What are the key properties of [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane?
[(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 756.50 g/mol, XLogP of 10.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 21111793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).