ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine

C16H29F3N2O3 — CID 171557150

IUPACethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
SMILESCC.CC.CC1CC(O)C(O)CO1.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2.C6H12O3.2C2H6/c1-4-2-10-3-5(11-4)6(7,8)9;1-4-2-5(7)6(8)3-9-4;2*1-2/h2-3H,1H3;4-8H,2-3H2,1H3;2*1-2H3
InChIKeyAJNATKYSAGWLMG-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.37
Rot. Bonds

About ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine

ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine (PubChem CID 171557150) has the molecular formula C16H29F3N2O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Nameethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
PubChem CID171557150
Molecular FormulaC16H29F3N2O3
Molecular Weight354.41 g/mol
Exact Mass354.21
IUPAC Nameethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
SMILESCC.CC.CC1CC(O)C(O)CO1.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2.C6H12O3.2C2H6/c1-4-2-10-3-5(11-4)6(7,8)9;1-4-2-5(7)6(8)3-9-4;2*1-2/h2-3H,1H3;4-8H,2-3H2,1H3;2*1-2H3
InChIKeyAJNATKYSAGWLMG-UHFFFAOYSA-N
XLogP3.37
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171556621
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
2-Methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 177015482
2-(2-Methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 178007628
2-(1,1-Difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
CID 178008050
2-Methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol
CID 178008275
Ethane;2-methyl-6-(trifluoromethyl)pyrazine;6-propan-2-yloxane-3,4-diol
CID 178008463

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The IUPAC name of ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine (CID 171557150) is ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The canonical SMILES for ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine is CC.CC.CC1CC(O)C(O)CO1.Cc1cncc(C(F)(F)F)n1.
What is the InChIKey of ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The InChIKey is AJNATKYSAGWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2.C6H12O3.2C2H6/c1-4-2-10-3-5(11-4)6(7,8)9;1-4-2-5(7)6(8)3-9-4;2*1-2/h2-3H,1H3;4-8H,2-3H2,1H3;2*1-2H3.
What are the key properties of ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine has a molecular weight of 354.41 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 171557150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).