[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane

C38H12F20O2P2 — CID 16687484

IUPAC[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESFc1c(F)c(F)c(P(O[C@@H](c2ccccc2)[C@@H](OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C38H12F20O2P2/c39-13-17(43)25(51)35(26(52)18(13)44)61(36-27(53)19(45)14(40)20(46)28(36)54)59-33(11-7-3-1-4-8-11)34(12-9-5-2-6-10-12)60-62(37-29(55)21(47)15(41)22(48)30(37)56)38-31(57)23(49)16(42)24(50)32(38)58/h1-10,33-34H/t33-,34-/m0/s1
InChIKeyHPSAGMVRYICEPQ-HEVIKAOCSA-N
MW942.42 g/mol
LogP11.38
Rot. Bonds11

About [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane

[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 16687484) has the molecular formula C38H12F20O2P2 and a molecular weight of 942.42 g/mol. Its IUPAC name is [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID16687484
Molecular FormulaC38H12F20O2P2
Molecular Weight942.42 g/mol
Exact Mass942.00
IUPAC Name[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESFc1c(F)c(F)c(P(O[C@@H](c2ccccc2)[C@@H](OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C38H12F20O2P2/c39-13-17(43)25(51)35(26(52)18(13)44)61(36-27(53)19(45)14(40)20(46)28(36)54)59-33(11-7-3-1-4-8-11)34(12-9-5-2-6-10-12)60-62(37-29(55)21(47)15(41)22(48)30(37)56)38-31(57)23(49)16(42)24(50)32(38)58/h1-10,33-34H/t33-,34-/m0/s1
InChIKeyHPSAGMVRYICEPQ-HEVIKAOCSA-N
XLogP11.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.42
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(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
1,2-Bis[bis(pentafluorophenyl)phosphanyloxy]-1,2-diphenylethane
CID 73308404
trans-(4R,6R)-4-methyl-2,2,5,5-tetrakis(2,3,4,5,6-pentafluorophenyl)-6-phenyl-1-oxa-5-phosphonia-2-boranuidacyclohexane
CID 139160058
4-Benzhydryloxy-3,5-bis(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine
CID 139187741
Tris(diphenylmethyl)phosphate
CID 10952115
Bis(2-diphenylphosphanylphenyl)methanol
CID 57527536
(3-Diphenylphosphanyloxy-1,3-diphenylpropoxy)-diphenylphosphane
CID 102501580
2,2,2-Trifluoro-1-(4-fluorophenyl)ethyl diphenylphosphinate
CID 2835131
(1-Diphenylphosphoryloxy-2,2,3,3,3-pentafluoropropyl)benzene
CID 4394025
triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride
CID 10766848
[(1S,2S)-2-bis[4-(trifluoromethyl)phenyl]phosphanyloxy-1,2-diphenylethoxy]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 100994751

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane (CID 16687484) is [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane is Fc1c(F)c(F)c(P(O[C@@H](c2ccccc2)[C@@H](OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is HPSAGMVRYICEPQ-HEVIKAOCSA-N. The full InChI is InChI=1S/C38H12F20O2P2/c39-13-17(43)25(51)35(26(52)18(13)44)61(36-27(53)19(45)14(40)20(46)28(36)54)59-33(11-7-3-1-4-8-11)34(12-9-5-2-6-10-12)60-62(37-29(55)21(47)15(41)22(48)30(37)56)38-31(57)23(49)16(42)24(50)32(38)58/h1-10,33-34H/t33-,34-/m0/s1.
What are the key properties of [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 942.42 g/mol, XLogP of 11.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 16687484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).