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

C15H23F3N2O3 — CID 178007628

IUPAC2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
SMILESCC(C)CC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H18O3.C6H5F3N2/c1-6(2)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
InChIKeyFDVVZGGCSREZPQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.35
Rot. Bonds2

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

2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine (PubChem CID 178007628) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
PubChem CID178007628
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
SMILESCC(C)CC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H18O3.C6H5F3N2/c1-6(2)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
InChIKeyFDVVZGGCSREZPQ-UHFFFAOYSA-N
XLogP2.35
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
Ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171557150
(2R,3R,4S,5S)-2-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171557582
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,4S,5S)-2-(2-methylpropyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171558692
2-Methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
CID 171558839
(2R,3R,4R,5S)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171558885
2-Propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953258
2-Butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953573
2-Butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol
CID 177015202

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine (CID 178007628) is 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine is CC(C)CC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
The InChIKey is FDVVZGGCSREZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.C6H5F3N2/c1-6(2)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-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine?
2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine has a molecular weight of 336.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 178007628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).