[6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol

C8H9F3N2O2 — CID 82956106

IUPAC[6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(OCCC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)1-2-15-7-4-12-3-6(5-14)13-7/h3-4,14H,1-2,5H2
InChIKeyQCHBJYLPTUTQPQ-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.30
Rot. Bonds4

About [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol

[6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol (PubChem CID 82956106) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol
PubChem CID82956106
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name[6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(OCCC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)1-2-15-7-4-12-3-6(5-14)13-7/h3-4,14H,1-2,5H2
InChIKeyQCHBJYLPTUTQPQ-UHFFFAOYSA-N
XLogP1.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol?
The IUPAC name of [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol (CID 82956106) is [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol is OCc1cncc(OCCC(F)(F)F)n1.
What is the InChIKey of [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol?
The InChIKey is QCHBJYLPTUTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)1-2-15-7-4-12-3-6(5-14)13-7/h3-4,14H,1-2,5H2.
What are the key properties of [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol?
[6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol has a molecular weight of 222.17 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3,3-trifluoropropoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 82956106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).