[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane

C30H22F8O2P2 — CID 10794037

IUPAC[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
SMILESFc1cc(F)cc(P(O[C@H]2CCCC[C@@H]2OP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C30H22F8O2P2/c31-17-5-18(32)10-25(9-17)41(26-11-19(33)6-20(34)12-26)39-29-3-1-2-4-30(29)40-42(27-13-21(35)7-22(36)14-27)28-15-23(37)8-24(38)16-28/h5-16,29-30H,1-4H2/t29-,30-/m0/s1
InChIKeyCVFAKVFQGUKJFF-KYJUHHDHSA-N
MW628.44 g/mol
LogP7.54
Rot. Bonds8

About [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane

[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane (PubChem CID 10794037) has the molecular formula C30H22F8O2P2 and a molecular weight of 628.44 g/mol. Its IUPAC name is [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane.

Molecular Properties

Compound Name[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
PubChem CID10794037
Molecular FormulaC30H22F8O2P2
Molecular Weight628.44 g/mol
Exact Mass628.10
IUPAC Name[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
SMILESFc1cc(F)cc(P(O[C@H]2CCCC[C@@H]2OP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C30H22F8O2P2/c31-17-5-18(32)10-25(9-17)41(26-11-19(33)6-20(34)12-26)39-29-3-1-2-4-30(29)40-42(27-13-21(35)7-22(36)14-27)28-15-23(37)8-24(38)16-28/h5-16,29-30H,1-4H2/t29-,30-/m0/s1
InChIKeyCVFAKVFQGUKJFF-KYJUHHDHSA-N
XLogP7.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.44
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-diphenylphosphanyloxycyclohexyl]oxy-diphenylphosphane
CID 10876473
[(1R,2R)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
CID 21111792
[(1R,2R)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[4-(trifluoromethyl)phenyl]phosphane
CID 21111793
[(1R,2R)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 87601341
[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 10533553
[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane
CID 100971064
[1-Bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
CID 141062116
[(1R,2R)-2-diphenylphosphanyloxycyclohex-3-en-1-yl]oxy-diphenylphosphane
CID 10928959
benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium
CID 134899289
bis[3,5-bis(trifluoromethyl)phenyl]-[(1S,2S)-2-diphenylphosphanyloxycyclohexyl]oxyphosphane
CID 10533132
[(1S,2S)-2-bis(3,5-dimethylphenyl)phosphanyloxycyclohexyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 10771151
[(1S,2S)-2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxycyclohexyl]oxy-bis[3,5-bis(trifluoromethyl)phenyl]phosphane
CID 10796112

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
The IUPAC name of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane (CID 10794037) is [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane.
What is the SMILES notation for [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
The canonical SMILES for [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane is Fc1cc(F)cc(P(O[C@H]2CCCC[C@@H]2OP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
The InChIKey is CVFAKVFQGUKJFF-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H22F8O2P2/c31-17-5-18(32)10-25(9-17)41(26-11-19(33)6-20(34)12-26)39-29-3-1-2-4-30(29)40-42(27-13-21(35)7-22(36)14-27)28-15-23(37)8-24(38)16-28/h5-16,29-30H,1-4H2/t29-,30-/m0/s1.
What are the key properties of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane?
[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane has a molecular weight of 628.44 g/mol, XLogP of 7.54, 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(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane is sourced from PubChem (CID 10794037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).