6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine

C9H7BrF3N3O — CID 79956027

IUPAC6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine
SMILESCC(Oc1nc(Br)cn2ccnc12)C(F)(F)F
InChIInChI=1S/C9H7BrF3N3O/c1-5(9(11,12)13)17-8-7-14-2-3-16(7)4-6(10)15-8/h2-5H,1H3
InChIKeyCLCTVIOUWNGBMO-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.82
Rot. Bonds2

About 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine

6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine (PubChem CID 79956027) has the molecular formula C9H7BrF3N3O and a molecular weight of 310.07 g/mol. Its IUPAC name is 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine
PubChem CID79956027
Molecular FormulaC9H7BrF3N3O
Molecular Weight310.07 g/mol
Exact Mass308.97
IUPAC Name6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine
SMILESCC(Oc1nc(Br)cn2ccnc12)C(F)(F)F
InChIInChI=1S/C9H7BrF3N3O/c1-5(9(11,12)13)17-8-7-14-2-3-16(7)4-6(10)15-8/h2-5H,1H3
InChIKeyCLCTVIOUWNGBMO-UHFFFAOYSA-N
XLogP2.82
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine (CID 79956027) is 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine is CC(Oc1nc(Br)cn2ccnc12)C(F)(F)F.
What is the InChIKey of 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine?
The InChIKey is CLCTVIOUWNGBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3O/c1-5(9(11,12)13)17-8-7-14-2-3-16(7)4-6(10)15-8/h2-5H,1H3.
What are the key properties of 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine has a molecular weight of 310.07 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79956027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).