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

C8H9F3N2O2 — CID 104515084

IUPAC3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
SMILESCOc1nccnc1C(O)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-15-7-6(12-2-3-13-7)5(14)4-8(9,10)11/h2-3,5,14H,4H2,1H3
InChIKeyCZQFTVCZWUQCNI-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.47
Rot. Bonds3

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

3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol (PubChem CID 104515084) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
PubChem CID104515084
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol
SMILESCOc1nccnc1C(O)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-15-7-6(12-2-3-13-7)5(14)4-8(9,10)11/h2-3,5,14H,4H2,1H3
InChIKeyCZQFTVCZWUQCNI-UHFFFAOYSA-N
XLogP1.47
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
2-(3-Methoxy-5-methylpyrazin-2-yl)propan-2-ol
CID 44327596
2-(3-Methoxy-6-methylpyrazin-2-yl)propan-2-ol
CID 44327620
2-(1-Hydroxy-1-methylethyl)-3-methoxypyrazine
CID 91666000
1-(5-Fluoro-3-methoxypyrazin-2-yl)hexan-1-ol
CID 11287622
1-(3-Fluoro-5-methoxypyrazin-2-yl)hexan-1-ol
CID 11287621
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
3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propan-1-ol
CID 103147900

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol (CID 104515084) is 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol is COc1nccnc1C(O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol?
The InChIKey is CZQFTVCZWUQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-15-7-6(12-2-3-13-7)5(14)4-8(9,10)11/h2-3,5,14H,4H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol?
3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol has a molecular weight of 222.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methoxypyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 104515084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).