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

C18H18F3NO5 — CID 171556803

IUPAC(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESOC[C@H]1O[C@H](c2ccccc2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H18F3NO5/c19-18(20,21)12-7-4-8-13(22-12)27-17-15(25)14(24)11(9-23)26-16(17)10-5-2-1-3-6-10/h1-8,11,14-17,23-25H,9H2/t11-,14+,15+,16-,17-/m1/s1
InChIKeyBLIBAULCNJQXBD-RDZAWVCESA-N
MW385.34 g/mol
LogP1.70
Rot. Bonds4

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

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171556803) has the molecular formula C18H18F3NO5 and a molecular weight of 385.34 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171556803
Molecular FormulaC18H18F3NO5
Molecular Weight385.34 g/mol
Exact Mass385.11
IUPAC Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESOC[C@H]1O[C@H](c2ccccc2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H18F3NO5/c19-18(20,21)12-7-4-8-13(22-12)27-17-15(25)14(24)11(9-23)26-16(17)10-5-2-1-3-6-10/h1-8,11,14-17,23-25H,9H2/t11-,14+,15+,16-,17-/m1/s1
InChIKeyBLIBAULCNJQXBD-RDZAWVCESA-N
XLogP1.70
TPSA92.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-Fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol
CID 134158356
Picoxystrobin metabolite 12
CID 138394699
2-[(6-Fluoropyridin-2-yl)oxy]-5-(2,2,2-trifluoro-1-hydroxy ethyl)phenol
CID 59191343
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
1,2-Propanediol, 3-(2-quinolyloxy)-
CID 115618
(3R)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol
CID 11253942
(1S)-1-(6-(4-(4-fluoro-2-(2,2,2-trifluoro-1-hydroxyethyl)phenoxy)phenyl)pyridin-2-yl)ethane-1,2-diol
CID 117616820
US11261186, Example 174
CID 121447418
2-Fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol
CID 166628596
2-Fluoro-5-[[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
CID 166629062

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171556803) is (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is OC[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-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is BLIBAULCNJQXBD-RDZAWVCESA-N. The full InChI is InChI=1S/C18H18F3NO5/c19-18(20,21)12-7-4-8-13(22-12)27-17-15(25)14(24)11(9-23)26-16(17)10-5-2-1-3-6-10/h1-8,11,14-17,23-25H,9H2/t11-,14+,15+,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 385.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171556803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).