1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol

C8H9F3N2O2 — CID 103216825

IUPAC1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)5-15-4-7(14)6-3-12-1-2-13-6/h1-3,7,14H,4-5H2
InChIKeyBUXIKVTYLMKWII-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.09
Rot. Bonds4

About 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol

1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103216825) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103216825
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(COCC(F)(F)F)c1cnccn1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)5-15-4-7(14)6-3-12-1-2-13-6/h1-3,7,14H,4-5H2
InChIKeyBUXIKVTYLMKWII-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
2-(1,4-Dioxan-2-yl)pyrazine
CID 67225701
1-(Pyrazin-2-yl)ethane-1,2-diol
CID 14362260
1,1-Difluoro-2-[5-(hydroxymethyl)pyrazin-2-yl]propan-2-ol
CID 69608293
1-(6-(Trifluoromethyl)pyrazin-2-yl)ethan-1-ol
CID 164920760
1-[5-(Trifluoromethyl)pyrazin-2-yl]ethanol
CID 167221132
2-[(2S)-1,4-dioxan-2-yl]pyrazine
CID 135043769
2,2,2-Trifluoro-1-(pyrazin-2-yl)ethanol
CID 63968803
4,4,4-Trifluoro-1-pyrazin-2-ylbutan-1-ol
CID 64566753
1-[6-(Difluoromethyl)pyrazin-2-yl]ethanol
CID 84654834

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol (CID 103216825) is 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol is OC(COCC(F)(F)F)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is BUXIKVTYLMKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)5-15-4-7(14)6-3-12-1-2-13-6/h1-3,7,14H,4-5H2.
What are the key properties of 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol?
1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 222.17 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103216825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).