2,2,2-trifluoro-1-pyrazin-2-ylethanol

C6H5F3N2O — CID 63968803

IUPAC2,2,2-trifluoro-1-pyrazin-2-ylethanol
SMILESOC(c1cnccn1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(12)4-3-10-1-2-11-4/h1-3,5,12H
InChIKeyXPQOAMXGEIAXRT-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.07
Rot. Bonds1

About 2,2,2-trifluoro-1-pyrazin-2-ylethanol

2,2,2-trifluoro-1-pyrazin-2-ylethanol (PubChem CID 63968803) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrazin-2-ylethanol
PubChem CID63968803
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2,2,2-trifluoro-1-pyrazin-2-ylethanol
SMILESOC(c1cnccn1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(12)4-3-10-1-2-11-4/h1-3,5,12H
InChIKeyXPQOAMXGEIAXRT-UHFFFAOYSA-N
XLogP1.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrazin-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-pyrazin-2-ylethanol (CID 63968803) is 2,2,2-trifluoro-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrazin-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-pyrazin-2-ylethanol is OC(c1cnccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrazin-2-ylethanol?
The InChIKey is XPQOAMXGEIAXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)5(12)4-3-10-1-2-11-4/h1-3,5,12H.
What are the key properties of 2,2,2-trifluoro-1-pyrazin-2-ylethanol?
2,2,2-trifluoro-1-pyrazin-2-ylethanol has a molecular weight of 178.11 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyrazin-2-ylethanol is sourced from PubChem (CID 63968803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).