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

C14H18F3NO4 — CID 171558294

IUPAC(2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESCC[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3NO4/c1-3-8-13(12(20)11(19)7(2)21-8)22-10-6-4-5-9(18-10)14(15,16)17/h4-8,11-13,19-20H,3H2,1-2H3/t7-,8-,11+,12+,13+/m1/s1
InChIKeySKXQXCNGNBFRED-XYDBGHNUSA-N
MW321.30 g/mol
LogP1.77
Rot. Bonds3

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

(2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171558294) has the molecular formula C14H18F3NO4 and a molecular weight of 321.30 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171558294
Molecular FormulaC14H18F3NO4
Molecular Weight321.30 g/mol
Exact Mass321.12
IUPAC Name(2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESCC[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3NO4/c1-3-8-13(12(20)11(19)7(2)21-8)22-10-6-4-5-9(18-10)14(15,16)17/h4-8,11-13,19-20H,3H2,1-2H3/t7-,8-,11+,12+,13+/m1/s1
InChIKeySKXQXCNGNBFRED-XYDBGHNUSA-N
XLogP1.77
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(6-Methoxypyridin-2-yl)ethan-1-ol
CID 15319871
1-(6-Methoxypyridin-2-yl)ethanol
CID 68951207
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
3-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol
CID 172433299
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
3-(6-Methoxypyridin-2-yl)propan-1-ol
CID 579667
2-Fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine
CID 71469715
2-(3-Fluoropent-4-enoxy)-6-methylpyridine
CID 134844997
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-methylpyridine
CID 166449996
(R)-6-((6-(trifluoromethyl)pyridin-2-yl)oxy)hexane-1,4-diyl diacetate
CID 168011254
(Z)-2-(hex-3-en-1-yloxy)-6-(trifluoromethyl)pyridine
CID 168011282
(1R,2S)-1-fluoro-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 177855958

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171558294) is (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is CC[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is SKXQXCNGNBFRED-XYDBGHNUSA-N. The full InChI is InChI=1S/C14H18F3NO4/c1-3-8-13(12(20)11(19)7(2)21-8)22-10-6-4-5-9(18-10)14(15,16)17/h4-8,11-13,19-20H,3H2,1-2H3/t7-,8-,11+,12+,13+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-6-ethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 321.30 g/mol, XLogP of 1.77, 3 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-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171558294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).