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

C18H18F3NO5 — CID 171557533

IUPAC(2R,3R,4S,5S)-2-(phenoxymethyl)-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)CO[C@@H]1COc1ccccc1
InChIInChI=1S/C18H18F3NO5/c19-18(20,21)14-7-4-8-15(22-14)27-13-10-26-12(16(23)17(13)24)9-25-11-5-2-1-3-6-11/h1-8,12-13,16-17,23-24H,9-10H2/t12-,13+,16+,17-/m1/s1
InChIKeyZWOWQZXROCWTOT-OSRSDYAFSA-N
MW385.34 g/mol
LogP2.05
Rot. Bonds5

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

(2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557533) has the molecular formula C18H18F3NO5 and a molecular weight of 385.34 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557533
Molecular FormulaC18H18F3NO5
Molecular Weight385.34 g/mol
Exact Mass385.11
IUPAC Name(2R,3R,4S,5S)-2-(phenoxymethyl)-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)CO[C@@H]1COc1ccccc1
InChIInChI=1S/C18H18F3NO5/c19-18(20,21)14-7-4-8-15(22-14)27-13-10-26-12(16(23)17(13)24)9-25-11-5-2-1-3-6-11/h1-8,12-13,16-17,23-24H,9-10H2/t12-,13+,16+,17-/m1/s1
InChIKeyZWOWQZXROCWTOT-OSRSDYAFSA-N
XLogP2.05
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethoxy]phenol
CID 172433299
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
(R)-6-((6-(trifluoromethyl)pyridin-2-yl)oxy)hexane-1,4-diyl diacetate
CID 168011254
6-Phenoxy-2-pyridinemethanol
CID 12879155
2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
2-[2-(2-Fluoroethoxy)ethoxy]-6-[6-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]pyridine
CID 11014057
2-(beta-D-Glucopyranosyloxy)-3-(3-fluoro-4-methylbenzyl)-4,6-dimethylpyridine
CID 9931218
2,2,2-Trifluoro-1-[6-(4-fluorophenoxy)pyridin-2-yl]ethanol
CID 14074442
2-Phenoxy-6-[(3,3,3-trifluoro-2-methylpropoxy)methyl]pyridine
CID 14279869
2-Phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine
CID 14500176
6-Fluoro-2-{2-[4-(1-methylpropoxy)phenoxy]ethoxy}pyridine
CID 15239101
6-Phenoxy-alpha-(trifluoromethyl)-2-pyridinemethanol
CID 15592688

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557533) is (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(phenoxymethyl)-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)CO[C@@H]1COc1ccccc1.
What is the InChIKey of (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is ZWOWQZXROCWTOT-OSRSDYAFSA-N. The full InChI is InChI=1S/C18H18F3NO5/c19-18(20,21)14-7-4-8-15(22-14)27-13-10-26-12(16(23)17(13)24)9-25-11-5-2-1-3-6-11/h1-8,12-13,16-17,23-24H,9-10H2/t12-,13+,16+,17-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 385.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(phenoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).