1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C11H14F4N2O4 — CID 103473932

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1cnc(C(O)COCC(F)(F)C(F)F)c(OC)n1
InChIInChI=1S/C11H14F4N2O4/c1-19-7-3-16-8(9(17-7)20-2)6(18)4-21-5-11(14,15)10(12)13/h3,6,10,18H,4-5H2,1-2H3
InChIKeyIEAITDWAINOEOR-UHFFFAOYSA-N
MW314.24 g/mol
LogP1.44
Rot. Bonds8

About 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103473932) has the molecular formula C11H14F4N2O4 and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103473932
Molecular FormulaC11H14F4N2O4
Molecular Weight314.24 g/mol
Exact Mass314.09
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1cnc(C(O)COCC(F)(F)C(F)F)c(OC)n1
InChIInChI=1S/C11H14F4N2O4/c1-19-7-3-16-8(9(17-7)20-2)6(18)4-21-5-11(14,15)10(12)13/h3,6,10,18H,4-5H2,1-2H3
InChIKeyIEAITDWAINOEOR-UHFFFAOYSA-N
XLogP1.44
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 103147696
1-(3,5-Dimethoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217065
1-(3-Methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217071
1-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312622
1-(3-Methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474004
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
1-(3,5-Dimethoxypyrazin-2-yl)-4,4,4-trifluorobutan-1-ol
CID 104368857
2-Chloro-1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanol
CID 104368896
1-(3,5-Dimethoxypyrazin-2-yl)-2,2-difluoroethanol
CID 104368897

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103473932) is 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is COc1cnc(C(O)COCC(F)(F)C(F)F)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is IEAITDWAINOEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O4/c1-19-7-3-16-8(9(17-7)20-2)6(18)4-21-5-11(14,15)10(12)13/h3,6,10,18H,4-5H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 314.24 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103473932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).