[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane

C30H26F4O2P2 — CID 100971064

IUPAC[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(O[C@H]2CCCC[C@@H]2OP(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H26F4O2P2/c31-21-5-13-25(14-6-21)37(26-15-7-22(32)8-16-26)35-29-3-1-2-4-30(29)36-38(27-17-9-23(33)10-18-27)28-19-11-24(34)12-20-28/h5-20,29-30H,1-4H2/t29-,30-/m0/s1
InChIKeyXRHDJUDFVNYKEN-KYJUHHDHSA-N
MW556.48 g/mol
LogP6.98
Rot. Bonds8

About [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane

[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane (PubChem CID 100971064) has the molecular formula C30H26F4O2P2 and a molecular weight of 556.48 g/mol. Its IUPAC name is [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane.

Molecular Properties

Compound Name[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane
PubChem CID100971064
Molecular FormulaC30H26F4O2P2
Molecular Weight556.48 g/mol
Exact Mass556.13
IUPAC Name[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(O[C@H]2CCCC[C@@H]2OP(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H26F4O2P2/c31-21-5-13-25(14-6-21)37(26-15-7-22(32)8-16-26)35-29-3-1-2-4-30(29)36-38(27-17-9-23(33)10-18-27)28-19-11-24(34)12-20-28/h5-20,29-30H,1-4H2/t29-,30-/m0/s1
InChIKeyXRHDJUDFVNYKEN-KYJUHHDHSA-N
XLogP6.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.48
LogP ≤ 56.98
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 [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane?
The IUPAC name of [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane (CID 100971064) is [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane.
What is the SMILES notation for [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane?
The canonical SMILES for [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane is Fc1ccc(P(O[C@H]2CCCC[C@@H]2OP(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane?
The InChIKey is XRHDJUDFVNYKEN-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H26F4O2P2/c31-21-5-13-25(14-6-21)37(26-15-7-22(32)8-16-26)35-29-3-1-2-4-30(29)36-38(27-17-9-23(33)10-18-27)28-19-11-24(34)12-20-28/h5-20,29-30H,1-4H2/t29-,30-/m0/s1.
What are the key properties of [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane?
[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane has a molecular weight of 556.48 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane is sourced from PubChem (CID 100971064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).