6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine

C10H9BrF3N3O — CID 82788606

IUPAC6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)CCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H9BrF3N3O/c11-7-6-17-4-3-15-8(17)9(16-7)18-5-1-2-10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyBMXKIRAQOQCGFR-UHFFFAOYSA-N
MW324.10 g/mol
LogP3.21
Rot. Bonds4

About 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine

6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine (PubChem CID 82788606) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine
PubChem CID82788606
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)CCCOc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H9BrF3N3O/c11-7-6-17-4-3-15-8(17)9(16-7)18-5-1-2-10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyBMXKIRAQOQCGFR-UHFFFAOYSA-N
XLogP3.21
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine 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 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine (CID 82788606) is 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine is FC(F)(F)CCCOc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine?
The InChIKey is BMXKIRAQOQCGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c11-7-6-17-4-3-15-8(17)9(16-7)18-5-1-2-10(12,13)14/h3-4,6H,1-2,5H2.
What are the key properties of 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine has a molecular weight of 324.10 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 82788606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).