4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

C9H11F3N2O — CID 68733030

IUPAC4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCc1cnc(C(C)(O)CC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-6-3-14-7(4-13-6)8(2,15)5-9(10,11)12/h3-4,15H,5H2,1-2H3
InChIKeyCFIKXJIJPQZCFG-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.94
Rot. Bonds2

About 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol

4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (PubChem CID 68733030) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
PubChem CID68733030
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol
SMILESCc1cnc(C(C)(O)CC(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c1-6-3-14-7(4-13-6)8(2,15)5-9(10,11)12/h3-4,15H,5H2,1-2H3
InChIKeyCFIKXJIJPQZCFG-UHFFFAOYSA-N
XLogP1.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol (CID 68733030) is 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is Cc1cnc(C(C)(O)CC(F)(F)F)cn1.
What is the InChIKey of 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
The InChIKey is CFIKXJIJPQZCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-3-14-7(4-13-6)8(2,15)5-9(10,11)12/h3-4,15H,5H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol?
4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(5-methylpyrazin-2-yl)butan-2-ol is sourced from PubChem (CID 68733030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).