(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol

C15H20F3NO4 — CID 171557304

IUPAC(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol
SMILESCC[C@H]1O[C@H](C)[C@H](O)[C@H](CO)[C@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H20F3NO4/c1-3-10-14(9(7-20)13(21)8(2)22-10)23-12-6-4-5-11(19-12)15(16,17)18/h4-6,8-10,13-14,20-21H,3,7H2,1-2H3/t8-,9+,10-,13+,14-/m1/s1
InChIKeyPWLUWYRJAORNLH-OUCLFPSISA-N
MW335.32 g/mol
LogP2.01
Rot. Bonds4

About (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol

(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol (PubChem CID 171557304) has the molecular formula C15H20F3NO4 and a molecular weight of 335.32 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol
PubChem CID171557304
Molecular FormulaC15H20F3NO4
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol
SMILESCC[C@H]1O[C@H](C)[C@H](O)[C@H](CO)[C@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H20F3NO4/c1-3-10-14(9(7-20)13(21)8(2)22-10)23-12-6-4-5-11(19-12)15(16,17)18/h4-6,8-10,13-14,20-21H,3,7H2,1-2H3/t8-,9+,10-,13+,14-/m1/s1
InChIKeyPWLUWYRJAORNLH-OUCLFPSISA-N
XLogP2.01
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol with MolForge

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Related Compounds

1,2-Propanediol, 3-(2-quinolyloxy)-
CID 115618
US11261186, Example 174
CID 121447418
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
2-Phenyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 135043638
2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-6-(1-(trifluoromethyl)cyclopropyl)pyridine
CID 166636784
(R)-6-((6-(trifluoromethyl)pyridin-2-yl)oxy)hexane-1,4-diyl diacetate
CID 168011254
(1R,2S)-1-fluoro-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 177855958
2,3-Dihydro-6-methylfuro(2,3-b)pyridin-3-ol
CID 129792057
2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
(2S)-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)butan-2-ol
CID 164635880
2-[2-(2-Fluoroethoxy)ethoxy]-6-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]pyridine
CID 11014057

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol (CID 171557304) is (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol is CC[C@H]1O[C@H](C)[C@H](O)[C@H](CO)[C@H]1Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol?
The InChIKey is PWLUWYRJAORNLH-OUCLFPSISA-N. The full InChI is InChI=1S/C15H20F3NO4/c1-3-10-14(9(7-20)13(21)8(2)22-10)23-12-6-4-5-11(19-12)15(16,17)18/h4-6,8-10,13-14,20-21H,3,7H2,1-2H3/t8-,9+,10-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol?
(2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol has a molecular weight of 335.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-ethyl-4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-ol is sourced from PubChem (CID 171557304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).