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

C12H17F3N2O4 — CID 171556621

IUPAC2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
SMILESCc1cncc(C(F)(F)F)n1.OCC1OCCC(O)C1O
InChIInChI=1S/C6H5F3N2.C6H12O4/c1-4-2-10-3-5(11-4)6(7,8)9;7-3-5-6(9)4(8)1-2-10-5/h2-3H,1H3;4-9H,1-3H2
InChIKeyAQIKNQZYQMDZPC-UHFFFAOYSA-N
MW310.27 g/mol
LogP0.29
Rot. Bonds1

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

2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine (PubChem CID 171556621) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
PubChem CID171556621
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
SMILESCc1cncc(C(F)(F)F)n1.OCC1OCCC(O)C1O
InChIInChI=1S/C6H5F3N2.C6H12O4/c1-4-2-10-3-5(11-4)6(7,8)9;7-3-5-6(9)4(8)1-2-10-5/h2-3H,1H3;4-9H,1-3H2
InChIKeyAQIKNQZYQMDZPC-UHFFFAOYSA-N
XLogP0.29
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
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
(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
2-(2-Methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 178007628

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine (CID 171556621) is 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine is Cc1cncc(C(F)(F)F)n1.OCC1OCCC(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The InChIKey is AQIKNQZYQMDZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2.C6H12O4/c1-4-2-10-3-5(11-4)6(7,8)9;7-3-5-6(9)4(8)1-2-10-5/h2-3H,1H3;4-9H,1-3H2.
What are the key properties of 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine has a molecular weight of 310.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 171556621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).