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

C14H21F3N2O3 — CID 171558839

IUPAC2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
SMILESCCCC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H5F3N2/c1-2-3-7-8(10)6(9)4-5-11-7;1-4-2-10-3-5(11-4)6(7,8)9/h6-10H,2-5H2,1H3;2-3H,1H3
InChIKeyLLNAQKFIIQEXPJ-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.10
Rot. Bonds2

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

2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol (PubChem CID 171558839) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
PubChem CID171558839
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
SMILESCCCC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H5F3N2/c1-2-3-7-8(10)6(9)4-5-11-7;1-4-2-10-3-5(11-4)6(7,8)9/h6-10H,2-5H2,1H3;2-3H,1H3
InChIKeyLLNAQKFIIQEXPJ-UHFFFAOYSA-N
XLogP2.10
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.10
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
(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
(2R,3R,4S,5S)-2-propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfanyloxane-3,4-diol
CID 171557507
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
Ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 176953564
2-(2-Methylpropyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 178007628
(2R,3R,4S)-2-propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]sulfanyloxane-3,4-diol
CID 178007649
2-(2-Methylpropyl)oxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] hypofluorite
CID 178007742
2-Methyl-6-(trifluoromethyl)pyrazine;2-(propan-2-yloxymethyl)oxane-3,4-diol
CID 178008275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol (CID 171558839) is 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol is CCCC1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol?
The InChIKey is LLNAQKFIIQEXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H5F3N2/c1-2-3-7-8(10)6(9)4-5-11-7;1-4-2-10-3-5(11-4)6(7,8)9/h6-10H,2-5H2,1H3;2-3H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol?
2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol has a molecular weight of 322.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol is sourced from PubChem (CID 171558839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).