(2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C15H16F3NO4 — CID 171557276

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC=C=C[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3NO4/c1-3-5-9-14(13(21)12(20)8(2)22-9)23-11-7-4-6-10(19-11)15(16,17)18/h4-9,12-14,20-21H,1H2,2H3/t8-,9-,12+,13+,14+/m1/s1
InChIKeyYRRDQCRIFOKTIS-IZPVPAKOSA-N
MW331.29 g/mol
LogP1.70
Rot. Bonds3

About (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557276) has the molecular formula C15H16F3NO4 and a molecular weight of 331.29 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557276
Molecular FormulaC15H16F3NO4
Molecular Weight331.29 g/mol
Exact Mass331.10
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC=C=C[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3NO4/c1-3-5-9-14(13(21)12(20)8(2)22-9)23-11-7-4-6-10(19-11)15(16,17)18/h4-9,12-14,20-21H,1H2,2H3/t8-,9-,12+,13+,14+/m1/s1
InChIKeyYRRDQCRIFOKTIS-IZPVPAKOSA-N
XLogP1.70
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

Pyridine, 2-ethoxy-6-methyl-
CID 4738465
2-(6-Methoxypyridin-2-yl)ethan-1-ol
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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
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2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
3-(6-Methoxypyridin-2-yl)propan-1-ol
CID 579667
6-Ethoxy-3-iodo-2-(trifluoromethyl)pyridine
CID 130851850
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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557276) is (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C=C=C[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)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is YRRDQCRIFOKTIS-IZPVPAKOSA-N. The full InChI is InChI=1S/C15H16F3NO4/c1-3-5-9-14(13(21)12(20)8(2)22-9)23-11-7-4-6-10(19-11)15(16,17)18/h4-9,12-14,20-21H,1H2,2H3/t8-,9-,12+,13+,14+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 331.29 g/mol, XLogP of 1.70, 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)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).