3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C13H11F4N3O — CID 166929857

IUPAC3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFc1ccc(Oc2cnc3n2CCNC3)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3O/c14-8-1-2-10(9(5-8)13(15,16)17)21-12-7-19-11-6-18-3-4-20(11)12/h1-2,5,7,18H,3-4,6H2
InChIKeyZSFHUOTXPQKSCN-UHFFFAOYSA-N
MW301.24 g/mol
LogP2.94
Rot. Bonds2

About 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 166929857) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID166929857
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFc1ccc(Oc2cnc3n2CCNC3)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4N3O/c14-8-1-2-10(9(5-8)13(15,16)17)21-12-7-19-11-6-18-3-4-20(11)12/h1-2,5,7,18H,3-4,6H2
InChIKeyZSFHUOTXPQKSCN-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{2-[4-(trifluoromethyl)phenoxy]ethyl}-1H-imidazole
CID 15396734
1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 75367333
2-(2-ethylphenoxy)-N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 50968779
2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
CID 21429056
2-Piperazin-1-yl-3-[2-[2-(trifluoromethyl)phenoxy]ethoxy]pyrazine
CID 22036266
2-Piperazin-1-yl-6-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazine
CID 22481996
2-[(3-Fluoro-4-methylphenoxy)methyl]-1-methylimidazole
CID 23377273
1-Ethyl-4-[2-(trifluoromethyl)phenoxy]imidazole
CID 57170801
2,4-Difluoro-6-(2-imidazol-1-ylethoxy)benzonitrile
CID 57624986
3-Bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 68654903
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 166929857) is 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is Fc1ccc(Oc2cnc3n2CCNC3)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is ZSFHUOTXPQKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c14-8-1-2-10(9(5-8)13(15,16)17)21-12-7-19-11-6-18-3-4-20(11)12/h1-2,5,7,18H,3-4,6H2.
What are the key properties of 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 301.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 166929857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).