3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

C13H7F4N3O — CID 166929856

IUPAC3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFc1ccc(Oc2cnc3cnccn23)c(C(F)(F)F)c1
InChIInChI=1S/C13H7F4N3O/c14-8-1-2-10(9(5-8)13(15,16)17)21-12-7-19-11-6-18-3-4-20(11)12/h1-7H
InChIKeyGOLNFRNIUSMHBF-UHFFFAOYSA-N
MW297.21 g/mol
LogP3.68
Rot. Bonds2

About 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (PubChem CID 166929856) has the molecular formula C13H7F4N3O and a molecular weight of 297.21 g/mol. Its IUPAC name is 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
PubChem CID166929856
Molecular FormulaC13H7F4N3O
Molecular Weight297.21 g/mol
Exact Mass297.05
IUPAC Name3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFc1ccc(Oc2cnc3cnccn23)c(C(F)(F)F)c1
InChIInChI=1S/C13H7F4N3O/c14-8-1-2-10(9(5-8)13(15,16)17)21-12-7-19-11-6-18-3-4-20(11)12/h1-7H
InChIKeyGOLNFRNIUSMHBF-UHFFFAOYSA-N
XLogP3.68
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (CID 166929856) is 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is Fc1ccc(Oc2cnc3cnccn23)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The InChIKey is GOLNFRNIUSMHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3O/c14-8-1-2-10(9(5-8)13(15,16)17)21-12-7-19-11-6-18-3-4-20(11)12/h1-7H.
What are the key properties of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine has a molecular weight of 297.21 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 166929856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).