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

C18H18F3NO4 — CID 171557709

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2ccccc2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H18F3NO4/c1-10-14(23)15(24)17(16(25-10)11-6-3-2-4-7-11)26-13-9-5-8-12(22-13)18(19,20)21/h2-10,14-17,23-24H,1H3/t10-,14+,15+,16-,17-/m1/s1
InChIKeyTUJYOKCUSVIYPW-GFVQHMJJSA-N
MW369.34 g/mol
LogP2.73
Rot. Bonds3

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

(2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557709) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557709
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2ccccc2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H18F3NO4/c1-10-14(23)15(24)17(16(25-10)11-6-3-2-4-7-11)26-13-9-5-8-12(22-13)18(19,20)21/h2-10,14-17,23-24H,1H3/t10-,14+,15+,16-,17-/m1/s1
InChIKeyTUJYOKCUSVIYPW-GFVQHMJJSA-N
XLogP2.73
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Picoxystrobin metabolite 12
CID 138394699
6-[6-Phenyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 10071290
6-[6-(2-Fluoro-phenyl)-4-phenyl-pyridin-2-yloxy]-2-methyl-hexanoic acid
CID 10430674
4-(4-Fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile
CID 154644716
6-(4-(3-Hydroxypropoxy)-3-(trifluoromethyl)phenyl)picolinonitrile
CID 49863239
6-[4-Phenyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 9980059
2-Methyl-6-phenylmethoxypyridine
CID 261829
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 395
CID 121447287

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557709) is (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C[C@H]1O[C@H](c2ccccc2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is TUJYOKCUSVIYPW-GFVQHMJJSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-10-14(23)15(24)17(16(25-10)11-6-3-2-4-7-11)26-13-9-5-8-12(22-13)18(19,20)21/h2-10,14-17,23-24H,1H3/t10-,14+,15+,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-methyl-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 369.34 g/mol, XLogP of 2.73, 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-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).