6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

C14H19F3N2O3 — CID 178008574

IUPAC6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESCC(C)C1OCC(O)C(O)C1Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N2O3/c1-7(2)13-9(12(21)10(20)6-22-13)3-8-4-18-5-11(19-8)14(15,16)17/h4-5,7,9-10,12-13,20-21H,3,6H2,1-2H3
InChIKeyZGJSAPOCTJBXJL-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.43
Rot. Bonds3

About 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (PubChem CID 178008574) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.

Molecular Properties

Compound Name6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
PubChem CID178008574
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESCC(C)C1OCC(O)C(O)C1Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C14H19F3N2O3/c1-7(2)13-9(12(21)10(20)6-22-13)3-8-4-18-5-11(19-8)14(15,16)17/h4-5,7,9-10,12-13,20-21H,3,6H2,1-2H3
InChIKeyZGJSAPOCTJBXJL-UHFFFAOYSA-N
XLogP1.43
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol
CID 57296319
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171557894
(2R,3R,4R,5S)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171558885
Ethane;2-propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
CID 171660769
2-(2-Methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 178007628
(2R,3R,4R)-2-ethyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178007863
2-(1,1-Difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
CID 178008050
(2R,3R,4R)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008144
Ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
CID 178008463
Ethane;6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 178008573
2-Propan-2-yl-5-[5-(trifluoromethyl)pyrazin-2-yl]cyclohexan-1-ol
CID 171660770

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The IUPAC name of 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (CID 178008574) is 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.
What is the SMILES notation for 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The canonical SMILES for 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is CC(C)C1OCC(O)C(O)C1Cc1cncc(C(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The InChIKey is ZGJSAPOCTJBXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-7(2)13-9(12(21)10(20)6-22-13)3-8-4-18-5-11(19-8)14(15,16)17/h4-5,7,9-10,12-13,20-21H,3,6H2,1-2H3.
What are the key properties of 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol has a molecular weight of 320.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is sourced from PubChem (CID 178008574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).