1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol

C9H11F3N2O3 — CID 103217071

IUPAC1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCOc1nccnc1C(O)COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-16-8-7(13-2-3-14-8)6(15)4-17-5-9(10,11)12/h2-3,6,15H,4-5H2,1H3
InChIKeyBOWFUJGIYAHDMR-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.10
Rot. Bonds5

About 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103217071) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103217071
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCOc1nccnc1C(O)COCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-16-8-7(13-2-3-14-8)6(15)4-17-5-9(10,11)12/h2-3,6,15H,4-5H2,1H3
InChIKeyBOWFUJGIYAHDMR-UHFFFAOYSA-N
XLogP1.10
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Hydroxy-1-methylethyl)-3-methoxypyrazine
CID 91666000
1-(5-Fluoro-3-methoxypyrazin-2-yl)ethanol
CID 11816126
1-(3,5-Dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147418
3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 103147900
1-Pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216825
1-(3,5-Dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217065
3,3,3-Trifluoro-1-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312623
1-(3,5-Dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473932
1-(3-Methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474004
1-Pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474101
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760
1-(3,5-Dimethoxypyrazin-2-yl)-2,2,2-trifluoroethanol
CID 104368786

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103217071) is 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol is COc1nccnc1C(O)COCC(F)(F)F.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is BOWFUJGIYAHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-16-8-7(13-2-3-14-8)6(15)4-17-5-9(10,11)12/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 252.19 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103217071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).