4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol

C9H11F3N2O2 — CID 104515198

IUPAC4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol
SMILESCOc1nccnc1C(O)CCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-16-8-7(13-4-5-14-8)6(15)2-3-9(10,11)12/h4-6,15H,2-3H2,1H3
InChIKeyILQFNTQKXGUSDY-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.86
Rot. Bonds4

About 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol

4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol (PubChem CID 104515198) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol
PubChem CID104515198
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol
SMILESCOc1nccnc1C(O)CCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-16-8-7(13-4-5-14-8)6(15)2-3-9(10,11)12/h4-6,15H,2-3H2,1H3
InChIKeyILQFNTQKXGUSDY-UHFFFAOYSA-N
XLogP1.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butyl-3-methoxypyrazine
CID 528313
2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
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-(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

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol (CID 104515198) is 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol is COc1nccnc1C(O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol?
The InChIKey is ILQFNTQKXGUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-16-8-7(13-4-5-14-8)6(15)2-3-9(10,11)12/h4-6,15H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol?
4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol has a molecular weight of 236.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-methoxypyrazin-2-yl)butan-1-ol is sourced from PubChem (CID 104515198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).