6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine

C9H5BrF5N3O — CID 79956200

IUPAC6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)C(F)(F)COc1nc(Br)cn2ccnc12
InChIInChI=1S/C9H5BrF5N3O/c10-5-3-18-2-1-16-6(18)7(17-5)19-4-8(11,12)9(13,14)15/h1-3H,4H2
InChIKeyURPLGBGIVVUWBE-UHFFFAOYSA-N
MW346.05 g/mol
LogP3.07
Rot. Bonds3

About 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine

6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine (PubChem CID 79956200) has the molecular formula C9H5BrF5N3O and a molecular weight of 346.05 g/mol. Its IUPAC name is 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine
PubChem CID79956200
Molecular FormulaC9H5BrF5N3O
Molecular Weight346.05 g/mol
Exact Mass344.95
IUPAC Name6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)C(F)(F)COc1nc(Br)cn2ccnc12
InChIInChI=1S/C9H5BrF5N3O/c10-5-3-18-2-1-16-6(18)7(17-5)19-4-8(11,12)9(13,14)15/h1-3H,4H2
InChIKeyURPLGBGIVVUWBE-UHFFFAOYSA-N
XLogP3.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.05
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-8-methoxyimidazo[1,2-a]pyrazine
CID 15025841
6-Bromo-8-ethoxyimidazo[1,2-A]pyrazine
CID 11776487
6-Bromo-8-methoxyimidazo[1,2-a]pyrazine
CID 11790955
3-Bromo-8-ethoxyimidazo[1,2-a]pyrazine
CID 10060274
8-Ethoxy-imidazo[1,2-a]pyrazine
CID 11819361
6-(2,2,2-Trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 135043497
2-(Trifluoromethoxy)imidazo[1,2-a]pyrazine
CID 68677191
8-(Trifluoromethoxy)imidazo[1,2-a]pyrazine
CID 68677192
2-Bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216637
2-Bromo-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129216709
6-(2,2-Difluoroethoxy)imidazo[1,2-a]pyrazine
CID 164561147
2-(2,2-Difluoroethoxy)imidazo[1,2-a]pyrazine
CID 175957961

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine (CID 79956200) is 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine is FC(F)(F)C(F)(F)COc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine?
The InChIKey is URPLGBGIVVUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF5N3O/c10-5-3-18-2-1-16-6(18)7(17-5)19-4-8(11,12)9(13,14)15/h1-3H,4H2.
What are the key properties of 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine has a molecular weight of 346.05 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79956200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).