3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol

C10H14F2N2O3 — CID 103147900

IUPAC3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
SMILESCOc1nccnc1C(O)CCOCC(F)F
InChIInChI=1S/C10H14F2N2O3/c1-16-10-9(13-3-4-14-10)7(15)2-5-17-6-8(11)12/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyRGXAYFQGJMCUNZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP1.19
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol

3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol (PubChem CID 103147900) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
PubChem CID103147900
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
SMILESCOc1nccnc1C(O)CCOCC(F)F
InChIInChI=1S/C10H14F2N2O3/c1-16-10-9(13-3-4-14-10)7(15)2-5-17-6-8(11)12/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyRGXAYFQGJMCUNZ-UHFFFAOYSA-N
XLogP1.19
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
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
3-(2,2-Difluoroethoxy)-1-pyrazin-2-ylpropan-1-ol
CID 103147800
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-Methoxypyrazin-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474004

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol (CID 103147900) is 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol is COc1nccnc1C(O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol?
The InChIKey is RGXAYFQGJMCUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c1-16-10-9(13-3-4-14-10)7(15)2-5-17-6-8(11)12/h3-4,7-8,15H,2,5-6H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol?
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol has a molecular weight of 248.23 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 103147900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).