2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol

C15H23F3N2O4 — CID 178008275

IUPAC2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol
SMILESCC(C)OCC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H18O4.C6H5F3N2/c1-6(2)13-5-8-9(11)7(10)3-4-12-8;1-4-2-10-3-5(11-4)6(7,8)9/h6-11H,3-5H2,1-2H3;2-3H,1H3
InChIKeyKTDBASNBZTXWNU-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol

2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol (PubChem CID 178008275) has the molecular formula C15H23F3N2O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol
PubChem CID178008275
Molecular FormulaC15H23F3N2O4
Molecular Weight352.35 g/mol
Exact Mass352.16
IUPAC Name2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol
SMILESCC(C)OCC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H18O4.C6H5F3N2/c1-6(2)13-5-8-9(11)7(10)3-4-12-8;1-4-2-10-3-5(11-4)6(7,8)9/h6-11H,3-5H2,1-2H3;2-3H,1H3
InChIKeyKTDBASNBZTXWNU-UHFFFAOYSA-N
XLogP1.73
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167448159
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171556621
(2R,3R,4S,5S)-2-propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556703
Ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171557150
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
Ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite
CID 171558295
2-Methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171558763
2-Methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
CID 171558839
(2R,3R,4S)-2-methyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953451
Ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 176953564
CID 177015237
CID 177015237
2-Methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 177015482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol (CID 178008275) is 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol is CC(C)OCC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
The InChIKey is KTDBASNBZTXWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4.C6H5F3N2/c1-6(2)13-5-8-9(11)7(10)3-4-12-8;1-4-2-10-3-5(11-4)6(7,8)9/h6-11H,3-5H2,1-2H3;2-3H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol?
2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol has a molecular weight of 352.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol is sourced from PubChem (CID 178008275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).