(2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)

C44H39F7N2O2Y2-2 — CID 159786467

IUPAC(2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)
SMILESC.[CH2-][C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[CH2-][C@](O)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[Y].[Y]
InChIInChI=1S/C22H19F3NO.C21H16F4NO.CH4.2Y/c1-14-4-7-16(8-5-14)17-9-11-20(26-13-17)22(24,25)21(3,27)18-10-6-15(2)12-19(18)23;1-13-3-5-14(6-4-13)15-7-10-19(26-12-15)21(24,25)20(2,27)17-9-8-16(22)11-18(17)23;;;/h4-13,27H,3H2,1-2H3;3-12,27H,2H2,1H3;1H4;;/q2*-1;;;/t21-;20-;;;/m01.../s1
InChIKeyPJXJUCSKPAYFKB-DWIXPIPBSA-N
MW938.61 g/mol
LogP11.10
Rot. Bonds8

About (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)

(2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium) (PubChem CID 159786467) has the molecular formula C44H39F7N2O2Y2-2 and a molecular weight of 938.61 g/mol. Its IUPAC name is (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium).

Molecular Properties

Compound Name(2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)
PubChem CID159786467
Molecular FormulaC44H39F7N2O2Y2-2
Molecular Weight938.61 g/mol
Exact Mass938.10
IUPAC Name(2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)
SMILESC.[CH2-][C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[CH2-][C@](O)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[Y].[Y]
InChIInChI=1S/C22H19F3NO.C21H16F4NO.CH4.2Y/c1-14-4-7-16(8-5-14)17-9-11-20(26-13-17)22(24,25)21(3,27)18-10-6-15(2)12-19(18)23;1-13-3-5-14(6-4-13)15-7-10-19(26-12-15)21(24,25)20(2,27)17-9-8-16(22)11-18(17)23;;;/h4-13,27H,3H2,1-2H3;3-12,27H,2H2,1H3;1H4;;/q2*-1;;;/t21-;20-;;;/m01.../s1
InChIKeyPJXJUCSKPAYFKB-DWIXPIPBSA-N
XLogP11.10
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.61
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium) with MolForge

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Related Compounds

SR2211
CID 51035449
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
1,1,1,3,3,3-Hexafluoro-2-(2-methyl-4'-((4-(pyridin-4-ylmethyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)propan-2-ol
CID 51035446
1,1,1,3,3,3-Hexafluoro-2-(4'-((4-(1-(pyridin-4-yl)ethyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)propan-2-ol
CID 71470550
1,1,1,3,3,3-Hexafluoro-2-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 71470724
4-Phenyl-1-(phenyl(pyridin-2-yl)methyl)piperidin-4-ol
CID 44426822
(4-Propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665872
Pyridin-3-yl-bis[4-(trifluoromethyl)phenyl]methanol
CID 56669287
3-Fluoro-4-[hydroxy-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 56682374
[4-(Dimethylamino)phenyl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56682754
(2R)-2-[4-[1-[cyclopropyl-(4-pyridin-2-ylcyclohexyl)amino]ethenyl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 70683409
1,1-Bis(2-fluoro-3-pyridinyl)-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
CID 137647028

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)?
The IUPAC name of (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium) (CID 159786467) is (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium).
What is the SMILES notation for (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)?
The canonical SMILES for (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium) is C.[CH2-][C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[CH2-][C@](O)(c1ccc(C)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.[Y].[Y].
What is the InChIKey of (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)?
The InChIKey is PJXJUCSKPAYFKB-DWIXPIPBSA-N. The full InChI is InChI=1S/C22H19F3NO.C21H16F4NO.CH4.2Y/c1-14-4-7-16(8-5-14)17-9-11-20(26-13-17)22(24,25)21(3,27)18-10-6-15(2)12-19(18)23;1-13-3-5-14(6-4-13)15-7-10-19(26-12-15)21(24,25)20(2,27)17-9-8-16(22)11-18(17)23;;;/h4-13,27H,3H2,1-2H3;3-12,27H,2H2,1H3;1H4;;/q2*-1;;;/t21-;20-;;;/m01.../s1.
What are the key properties of (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium)?
(2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium) has a molecular weight of 938.61 g/mol, XLogP of 11.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;methane;bis(yttrium) is sourced from PubChem (CID 159786467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).