[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane

C38H24F8O2P2 — CID 100994750

IUPAC[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane
SMILESFc1cc(F)cc(P(O[C@@H](c2ccccc2)[C@@H](OP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2ccccc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C38H24F8O2P2/c39-25-11-26(40)16-33(15-25)49(34-17-27(41)12-28(42)18-34)47-37(23-7-3-1-4-8-23)38(24-9-5-2-6-10-24)48-50(35-19-29(43)13-30(44)20-35)36-21-31(45)14-32(46)22-36/h1-22,37-38H/t37-,38-/m0/s1
InChIKeySNDJZCKZWIFBJG-UWXQCODUSA-N
MW726.54 g/mol
LogP9.71
Rot. Bonds11

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

[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane (PubChem CID 100994750) has the molecular formula C38H24F8O2P2 and a molecular weight of 726.54 g/mol. Its IUPAC name is [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane.

Molecular Properties

Compound Name[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane
PubChem CID100994750
Molecular FormulaC38H24F8O2P2
Molecular Weight726.54 g/mol
Exact Mass726.11
IUPAC Name[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane
SMILESFc1cc(F)cc(P(O[C@@H](c2ccccc2)[C@@H](OP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2ccccc2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C38H24F8O2P2/c39-25-11-26(40)16-33(15-25)49(34-17-27(41)12-28(42)18-34)47-37(23-7-3-1-4-8-23)38(24-9-5-2-6-10-24)48-50(35-19-29(43)13-30(44)20-35)36-21-31(45)14-32(46)22-36/h1-22,37-38H/t37-,38-/m0/s1
InChIKeySNDJZCKZWIFBJG-UWXQCODUSA-N
XLogP9.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.54
LogP ≤ 59.71
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

1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
2-(3,5-difluorophenyl)-2-phenylacetaldehyde
CID 87253871
bis(3-fluorophenyl)-phenoxyphosphane
CID 141190164
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
1,3-difluoro-5-phenoxybenzene
CID 13455928
2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681
1-[[(3,5-difluorophenyl)-(3-fluorophenyl)methoxy]-(3-fluorophenyl)methyl]-3,5-difluorobenzene
CID 142787014
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane?
The IUPAC name of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane (CID 100994750) is [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane.
What is the SMILES notation for [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane?
The canonical SMILES for [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane is Fc1cc(F)cc(P(O[C@@H](c2ccccc2)[C@@H](OP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2ccccc2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane?
The InChIKey is SNDJZCKZWIFBJG-UWXQCODUSA-N. The full InChI is InChI=1S/C38H24F8O2P2/c39-25-11-26(40)16-33(15-25)49(34-17-27(41)12-28(42)18-34)47-37(23-7-3-1-4-8-23)38(24-9-5-2-6-10-24)48-50(35-19-29(43)13-30(44)20-35)36-21-31(45)14-32(46)22-36/h1-22,37-38H/t37-,38-/m0/s1.
What are the key properties of [(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane?
[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane has a molecular weight of 726.54 g/mol, XLogP of 9.71, 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(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane is sourced from PubChem (CID 100994750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).