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

C10H12F4N2O3 — CID 103474004

IUPAC1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1nccnc1C(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2O3/c1-18-8-7(15-2-3-16-8)6(17)4-19-5-10(13,14)9(11)12/h2-3,6,9,17H,4-5H2,1H3
InChIKeyGJXVGYOJELHGTR-UHFFFAOYSA-N
MW284.21 g/mol
LogP1.44
Rot. Bonds7

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

1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103474004) has the molecular formula C10H12F4N2O3 and a molecular weight of 284.21 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103474004
Molecular FormulaC10H12F4N2O3
Molecular Weight284.21 g/mol
Exact Mass284.08
IUPAC Name1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESCOc1nccnc1C(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2O3/c1-18-8-7(15-2-3-16-8)6(17)4-19-5-10(13,14)9(11)12/h2-3,6,9,17H,4-5H2,1H3
InChIKeyGJXVGYOJELHGTR-UHFFFAOYSA-N
XLogP1.44
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
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
1-(3-Methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217071
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-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
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103474004) is 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is COc1nccnc1C(O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is GJXVGYOJELHGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O3/c1-18-8-7(15-2-3-16-8)6(17)4-19-5-10(13,14)9(11)12/h2-3,6,9,17H,4-5H2,1H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(3-methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 284.21 g/mol, XLogP of 1.44, 7 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-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103474004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).