1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

C11H15F3N2O4 — CID 103147418

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCOc1cnc(C(O)CCOCC(F)(F)F)c(OC)n1
InChIInChI=1S/C11H15F3N2O4/c1-18-8-5-15-9(10(16-8)19-2)7(17)3-4-20-6-11(12,13)14/h5,7,17H,3-4,6H2,1-2H3
InChIKeyOPKHNDDACSIIBQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.50
Rot. Bonds7

About 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 103147418) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID103147418
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCOc1cnc(C(O)CCOCC(F)(F)F)c(OC)n1
InChIInChI=1S/C11H15F3N2O4/c1-18-8-5-15-9(10(16-8)19-2)7(17)3-4-20-6-11(12,13)14/h5,7,17H,3-4,6H2,1-2H3
InChIKeyOPKHNDDACSIIBQ-UHFFFAOYSA-N
XLogP1.50
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-(5-Fluoro-3-methoxypyrazin-2-yl)ethanol
CID 11816126
3-(2,2-Difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 103147696
3-(2,2-Difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol
CID 103147800
3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 103147900
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
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-(3,5-Dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 104368760

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 103147418) is 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is COc1cnc(C(O)CCOCC(F)(F)F)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is OPKHNDDACSIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c1-18-8-5-15-9(10(16-8)19-2)7(17)3-4-20-6-11(12,13)14/h5,7,17H,3-4,6H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 296.25 g/mol, XLogP of 1.50, 7 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)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 103147418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).