[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol

C8H9F3N2O2 — CID 107373209

IUPAC[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
SMILESCC(Oc1cnc(CO)cn1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5(8(9,10)11)15-7-3-12-6(4-14)2-13-7/h2-3,5,14H,4H2,1H3
InChIKeyGZBHBGCUYIWDBU-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.30
Rot. Bonds3

About [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol

[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol (PubChem CID 107373209) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
PubChem CID107373209
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
SMILESCC(Oc1cnc(CO)cn1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5(8(9,10)11)15-7-3-12-6(4-14)2-13-7/h2-3,5,14H,4H2,1H3
InChIKeyGZBHBGCUYIWDBU-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-propoxypyrazine
CID 100240
(5-Methoxypyrazin-2-yl)methanol
CID 23461950
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyrazin-2-yl)methanol
CID 104564158
1-(3-Fluoro-5-methoxy-pyrazin-2-yl)-ethanol
CID 11378762
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
2-Pyrazinemethanol, 5-(2,2,2-trifluoroethoxy)-
CID 107373127
2-(Chloromethyl)-5-(2,2,2-trifluoroethoxy)pyrazine;[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methanol
CID 117840153
[5-(1,2,2-Trifluoroethoxy)pyrazin-2-yl]methanol
CID 117925422

Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol (CID 107373209) is [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol is CC(Oc1cnc(CO)cn1)C(F)(F)F.
What is the InChIKey of [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
The InChIKey is GZBHBGCUYIWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-5(8(9,10)11)15-7-3-12-6(4-14)2-13-7/h2-3,5,14H,4H2,1H3.
What are the key properties of [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol has a molecular weight of 222.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).