3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

C13H7F4N3O — CID 166929602

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

About 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (PubChem CID 166929602) has the molecular formula C13H7F4N3O and a molecular weight of 297.21 g/mol. Its IUPAC name is 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
PubChem CID166929602
Molecular FormulaC13H7F4N3O
Molecular Weight297.21 g/mol
Exact Mass297.05
IUPAC Name3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFc1ccc(C(F)(F)F)c(Oc2cnc3cnccn23)c1
InChIInChI=1S/C13H7F4N3O/c14-8-1-2-9(13(15,16)17)10(5-8)21-12-7-19-11-6-18-3-4-20(11)12/h1-7H
InChIKeyNHEBOVSMFHNCOY-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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Related Compounds

2-Nitro-8-[2-[4-(trifluoromethoxy)phenyl]ethoxy]imidazo[1,2-a]pyrazine
CID 155560172
2-Nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine
CID 155526214
1-Ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole
CID 57170801
2-(2-Imidazo[1,2-a]pyrazin-8-yloxyethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 58044650
3-Bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 68654903
6-(5-Fluoro-2-methylphenoxy)-3-iodoimidazo[1,2-a]pyridine
CID 70818504
6-Bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 79953042
6-Bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 79953055
6-Bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine
CID 79955578
2-[(3-Fluoro-2-methylphenoxy)methyl]-1-methylimidazole
CID 122607360
3-[4-Fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 166929856
3-[4-Fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 166929857

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (CID 166929602) is 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is Fc1ccc(C(F)(F)F)c(Oc2cnc3cnccn23)c1.
What is the InChIKey of 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The InChIKey is NHEBOVSMFHNCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3O/c14-8-1-2-9(13(15,16)17)10(5-8)21-12-7-19-11-6-18-3-4-20(11)12/h1-7H.
What are the key properties of 3-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
3-[5-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-[5-fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 166929602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).