1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol

C8H9F3N2O2 — CID 171759196

IUPAC1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol
SMILESCc1cnc(OCC(O)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2/c1-5-2-13-7(3-12-5)15-4-6(14)8(9,10)11/h2-3,6,14H,4H2,1H3
InChIKeyLLKBGLNJCQFZPG-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.09
Rot. Bonds3

About 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol

1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol (PubChem CID 171759196) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol
PubChem CID171759196
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol
SMILESCc1cnc(OCC(O)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O2/c1-5-2-13-7(3-12-5)15-4-6(14)8(9,10)11/h2-3,6,14H,4H2,1H3
InChIKeyLLKBGLNJCQFZPG-UHFFFAOYSA-N
XLogP1.09
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-ethoxypyrazine
CID 104421
2-Methyl-6-propoxypyrazine
CID 100240
2-Methyl-5-ethoxypyrazine
CID 105758
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyrazin-2-yl)methanol
CID 104564158
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556571
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-methyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171558767
2-[(6-Methylpyrazin-2-yl)oxy]acetic acid
CID 146908338
2-Methyl-5-(2,2,2-trifluoroethoxy)pyrazine
CID 68236301
2-(4-Fluorobut-2-ynoxy)-5-methylpyrazine
CID 70235062
2-(2-Fluoroethoxy)-5-methylpyrazine
CID 88224400
[6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methanol
CID 89874037
2-(2,2-Difluoroethoxy)-5-ethylpyrazine
CID 90917448

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol (CID 171759196) is 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol is Cc1cnc(OCC(O)C(F)(F)F)cn1.
What is the InChIKey of 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol?
The InChIKey is LLKBGLNJCQFZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-5-2-13-7(3-12-5)15-4-6(14)8(9,10)11/h2-3,6,14H,4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol?
1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol has a molecular weight of 222.17 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(5-methylpyrazin-2-yl)oxypropan-2-ol is sourced from PubChem (CID 171759196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).