(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C18H16F5NO4 — CID 171556684

IUPAC(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)[C@@H](c2ccccc2)O[C@@H]1C(F)F
InChIInChI=1S/C18H16F5NO4/c19-17(20)16-13(26)12(25)15(14(28-16)9-5-2-1-3-6-9)27-11-8-4-7-10(24-11)18(21,22)23/h1-8,12-17,25-26H/t12-,13+,14+,15+,16-/m0/s1
InChIKeyZPUWXAJMEWKGII-GCSSGZNBSA-N
MW405.32 g/mol
LogP2.97
Rot. Bonds4

About (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171556684) has the molecular formula C18H16F5NO4 and a molecular weight of 405.32 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171556684
Molecular FormulaC18H16F5NO4
Molecular Weight405.32 g/mol
Exact Mass405.10
IUPAC Name(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)[C@@H](c2ccccc2)O[C@@H]1C(F)F
InChIInChI=1S/C18H16F5NO4/c19-17(20)16-13(26)12(25)15(14(28-16)9-5-2-1-3-6-9)27-11-8-4-7-10(24-11)18(21,22)23/h1-8,12-17,25-26H/t12-,13+,14+,15+,16-/m0/s1
InChIKeyZPUWXAJMEWKGII-GCSSGZNBSA-N
XLogP2.97
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

6-[6-Phenyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 10071290
6-(4-(3-Hydroxypropoxy)-3-(trifluoromethyl)phenyl)picolinonitrile
CID 49863239
6-[4-Phenyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 9980059
1-[6-[4-[4-(Trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943251
(1S)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943275
(1R)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943276
US11261186, Example 186
CID 121447254
US11261186, Example 538
CID 121447572
1,2-Propanediol, 3-(2-quinolyloxy)-
CID 115618
4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
CID 66799741
(1S)-1-(6-(4-(4-fluoro-2-(2,2,2-trifluoro-1-hydroxyethyl)phenoxy)phenyl)pyridin-2-yl)ethane-1,2-diol
CID 117616820
US11261186, Example 174
CID 121447418

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171556684) is (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)[C@@H](c2ccccc2)O[C@@H]1C(F)F.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is ZPUWXAJMEWKGII-GCSSGZNBSA-N. The full InChI is InChI=1S/C18H16F5NO4/c19-17(20)16-13(26)12(25)15(14(28-16)9-5-2-1-3-6-9)27-11-8-4-7-10(24-11)18(21,22)23/h1-8,12-17,25-26H/t12-,13+,14+,15+,16-/m0/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 405.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171556684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).