[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol

C8H9F3N2O2 — CID 66465723

IUPAC[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
SMILESCC(Oc1cncc(CO)n1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5(8(9,10)11)15-7-3-12-2-6(4-14)13-7/h2-3,5,14H,4H2,1H3
InChIKeyCQBDXYTYLRYIPW-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.30
Rot. Bonds3

About [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol

[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol (PubChem CID 66465723) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
PubChem CID66465723
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol
SMILESCC(Oc1cncc(CO)n1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5(8(9,10)11)15-7-3-12-2-6(4-14)13-7/h2-3,5,14H,4H2,1H3
InChIKeyCQBDXYTYLRYIPW-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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Frequently Asked Questions

What is the IUPAC name of [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
The IUPAC name of [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol (CID 66465723) is [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol is CC(Oc1cncc(CO)n1)C(F)(F)F.
What is the InChIKey of [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
The InChIKey is CQBDXYTYLRYIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-5(8(9,10)11)15-7-3-12-2-6(4-14)13-7/h2-3,5,14H,4H2,1H3.
What are the key properties of [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol?
[6-(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 [6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 66465723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).