[(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane

C38H22F24O2P2 — CID 87601341

IUPAC[(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1cc(P(O[C@@H]2CCCC[C@H]2OP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C38H22F24O2P2/c39-31(40,41)17-5-18(32(42,43)44)10-25(9-17)65(26-11-19(33(45,46)47)6-20(12-26)34(48,49)50)63-29-3-1-2-4-30(29)64-66(27-13-21(35(51,52)53)7-22(14-27)36(54,55)56)28-15-23(37(57,58)59)8-24(16-28)38(60,61)62/h5-16,29-30H,1-4H2/t29-,30-/m1/s1
InChIKeyXKSHCNIWRGZUGN-LOYHVIPDSA-N
MW1028.49 g/mol
LogP14.58
Rot. Bonds8

About [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane

[(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane (PubChem CID 87601341) has the molecular formula C38H22F24O2P2 and a molecular weight of 1028.49 g/mol. Its IUPAC name is [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
PubChem CID87601341
Molecular FormulaC38H22F24O2P2
Molecular Weight1028.49 g/mol
Exact Mass1028.07
IUPAC Name[(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1cc(P(O[C@@H]2CCCC[C@H]2OP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C38H22F24O2P2/c39-31(40,41)17-5-18(32(42,43)44)10-25(9-17)65(26-11-19(33(45,46)47)6-20(12-26)34(48,49)50)63-29-3-1-2-4-30(29)64-66(27-13-21(35(51,52)53)7-22(14-27)36(54,55)56)28-15-23(37(57,58)59)8-24(16-28)38(60,61)62/h5-16,29-30H,1-4H2/t29-,30-/m1/s1
InChIKeyXKSHCNIWRGZUGN-LOYHVIPDSA-N
XLogP14.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.49
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane (CID 87601341) is [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1cc(P(O[C@@H]2CCCC[C@H]2OP(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
The InChIKey is XKSHCNIWRGZUGN-LOYHVIPDSA-N. The full InChI is InChI=1S/C38H22F24O2P2/c39-31(40,41)17-5-18(32(42,43)44)10-25(9-17)65(26-11-19(33(45,46)47)6-20(12-26)34(48,49)50)63-29-3-1-2-4-30(29)64-66(27-13-21(35(51,52)53)7-22(14-27)36(54,55)56)28-15-23(37(57,58)59)8-24(16-28)38(60,61)62/h5-16,29-30H,1-4H2/t29-,30-/m1/s1.
What are the key properties of [(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane?
[(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane has a molecular weight of 1028.49 g/mol, XLogP of 14.58, 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[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 87601341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).