5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine

C28H20F8N4 — CID 139047959

IUPAC5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine
SMILESCC1=C(c2ccccc2)c2nccn2C(F)(F)C1(F)F.CC1=C(c2ccccc2)c2nccn2C(F)(F)C1(F)F
InChIInChI=1S/2C14H10F4N2/c2*1-9-11(10-5-3-2-4-6-10)12-19-7-8-20(12)14(17,18)13(9,15)16/h2*2-8H,1H3
InChIKeyHDZGJQFVQGBOGA-UHFFFAOYSA-N
MW564.48 g/mol
LogP7.81
Rot. Bonds2

About 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine

5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine (PubChem CID 139047959) has the molecular formula C28H20F8N4 and a molecular weight of 564.48 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine
PubChem CID139047959
Molecular FormulaC28H20F8N4
Molecular Weight564.48 g/mol
Exact Mass564.16
IUPAC Name5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine
SMILESCC1=C(c2ccccc2)c2nccn2C(F)(F)C1(F)F.CC1=C(c2ccccc2)c2nccn2C(F)(F)C1(F)F
InChIInChI=1S/2C14H10F4N2/c2*1-9-11(10-5-3-2-4-6-10)12-19-7-8-20(12)14(17,18)13(9,15)16/h2*2-8H,1H3
InChIKeyHDZGJQFVQGBOGA-UHFFFAOYSA-N
XLogP7.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.48
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine (CID 139047959) is 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine is CC1=C(c2ccccc2)c2nccn2C(F)(F)C1(F)F.CC1=C(c2ccccc2)c2nccn2C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine?
The InChIKey is HDZGJQFVQGBOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10F4N2/c2*1-9-11(10-5-3-2-4-6-10)12-19-7-8-20(12)14(17,18)13(9,15)16/h2*2-8H,1H3.
What are the key properties of 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine?
5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine has a molecular weight of 564.48 g/mol, XLogP of 7.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-7-methyl-8-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 139047959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).