2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol

C19H28F3NO4 — CID 171557336

IUPAC2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol
SMILESCC[C@H]1[C@@H](OC(C)(C)O)[C@@H](C)O[C@H](CC)[C@@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H28F3NO4/c1-6-12-16(27-18(4,5)24)11(3)25-13(7-2)17(12)26-15-10-8-9-14(23-15)19(20,21)22/h8-13,16-17,24H,6-7H2,1-5H3/t11-,12+,13-,16+,17-/m1/s1
InChIKeyDAAZMEKPFLZHFH-BBAXIROVSA-N
MW391.43 g/mol
LogP4.18
Rot. Bonds6

About 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol

2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol (PubChem CID 171557336) has the molecular formula C19H28F3NO4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol.

Molecular Properties

Compound Name2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol
PubChem CID171557336
Molecular FormulaC19H28F3NO4
Molecular Weight391.43 g/mol
Exact Mass391.20
IUPAC Name2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol
SMILESCC[C@H]1[C@@H](OC(C)(C)O)[C@@H](C)O[C@H](CC)[C@@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H28F3NO4/c1-6-12-16(27-18(4,5)24)11(3)25-13(7-2)17(12)26-15-10-8-9-14(23-15)19(20,21)22/h8-13,16-17,24H,6-7H2,1-5H3/t11-,12+,13-,16+,17-/m1/s1
InChIKeyDAAZMEKPFLZHFH-BBAXIROVSA-N
XLogP4.18
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

US11261186, Example 174
CID 121447418
2-Phenyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 135043638
2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)-6-(1-(trifluoromethyl)cyclopropyl)pyridine
CID 166636784
(R)-6-((6-(trifluoromethyl)pyridin-2-yl)oxy)hexane-1,4-diyl diacetate
CID 168011254
2-(2-methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine
CID 5387556
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-Phenyl-6-prop-2-enoxy-4-(trifluoromethyl)pyridine
CID 15326047
2-(beta-D-Glucopyranosyloxy)-3-(3-fluoro-4-methylbenzyl)-4,6-dimethylpyridine
CID 9931218
2-[(7,7,9,9-Tetramethyl-1,4-dioxaspiro[4.5]decan-8-yl)oxy]-4,6-bis(trifluoromethyl)pyridine
CID 18681721
8-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
CID 18946528
1,1,1-Trifluoro-3-[(6-phenoxy-2-pyridinyl)methoxy]-2-(trifluoromethoxy)propan-2-ol
CID 19753530

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol?
The IUPAC name of 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol (CID 171557336) is 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol.
What is the SMILES notation for 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol?
The canonical SMILES for 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol is CC[C@H]1[C@@H](OC(C)(C)O)[C@@H](C)O[C@H](CC)[C@@H]1Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol?
The InChIKey is DAAZMEKPFLZHFH-BBAXIROVSA-N. The full InChI is InChI=1S/C19H28F3NO4/c1-6-12-16(27-18(4,5)24)11(3)25-13(7-2)17(12)26-15-10-8-9-14(23-15)19(20,21)22/h8-13,16-17,24H,6-7H2,1-5H3/t11-,12+,13-,16+,17-/m1/s1.
What are the key properties of 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol?
2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol has a molecular weight of 391.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R,5R,6R)-4,6-diethyl-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-3-yl]oxypropan-2-ol is sourced from PubChem (CID 171557336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).