bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)

C84H72F16N8O4 — CID 167712671

IUPACbis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)
SMILESCc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/4C21H18F4N2O/c4*1-13-2-4-14(5-3-13)15-6-9-19(27-11-15)21(24,25)20(28,12-26)17-8-7-16(22)10-18(17)23/h4*2-11,28H,12,26H2,1H3/t4*20-/m1100/s1
InChIKeyLKXWDYALKHAYOD-BBJPEFHGSA-N
MW1561.52 g/mol
LogP17.09
Rot. Bonds20

About bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)

bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol) (PubChem CID 167712671) has the molecular formula C84H72F16N8O4 and a molecular weight of 1561.52 g/mol. Its IUPAC name is bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol).

Molecular Properties

Compound Namebis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)
PubChem CID167712671
Molecular FormulaC84H72F16N8O4
Molecular Weight1561.52 g/mol
Exact Mass1560.54
IUPAC Namebis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)
SMILESCc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/4C21H18F4N2O/c4*1-13-2-4-14(5-3-13)15-6-9-19(27-11-15)21(24,25)20(28,12-26)17-8-7-16(22)10-18(17)23/h4*2-11,28H,12,26H2,1H3/t4*20-/m1100/s1
InChIKeyLKXWDYALKHAYOD-BBJPEFHGSA-N
XLogP17.09
TPSA236.56 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001561.52
LogP ≤ 517.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol) with MolForge

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Related Compounds

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CID 89215704
1,1,1,3,3,3-Hexafluoro-2-[5-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]pyridin-2-yl]propan-2-ol
CID 89215708
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(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)pyridin-2-yl]propan-2-ol
CID 126705297
(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)pyridin-2-yl]propan-2-ol
CID 126705298
(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)pyridin-2-yl]propan-2-ol
CID 126709751
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Frequently Asked Questions

What is the IUPAC name of bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)?
The IUPAC name of bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol) (CID 167712671) is bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol).
What is the SMILES notation for bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)?
The canonical SMILES for bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol) is Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)?
The InChIKey is LKXWDYALKHAYOD-BBJPEFHGSA-N. The full InChI is InChI=1S/4C21H18F4N2O/c4*1-13-2-4-14(5-3-13)15-6-9-19(27-11-15)21(24,25)20(28,12-26)17-8-7-16(22)10-18(17)23/h4*2-11,28H,12,26H2,1H3/t4*20-/m1100/s1.
What are the key properties of bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol)?
bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol) has a molecular weight of 1561.52 g/mol, XLogP of 17.09, 20 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol);bis((2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol) is sourced from PubChem (CID 167712671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).