3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol

C21H11F8N3O — CID 137287279

IUPAC3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1nc2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F
InChIInChI=1S/C21H11F8N3O/c1-9-19(18-14(23)5-11(33)6-15(18)24)32-8-16(30-7-17(32)31-9)10-2-3-13(22)12(4-10)20(25,26)21(27,28)29/h2-8,33H,1H3
InChIKeyGFODWVNDLITPNF-UHFFFAOYSA-N
MW473.32 g/mol
LogP6.15
Rot. Bonds3

About 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol

3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137287279) has the molecular formula C21H11F8N3O and a molecular weight of 473.32 g/mol. Its IUPAC name is 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137287279
Molecular FormulaC21H11F8N3O
Molecular Weight473.32 g/mol
Exact Mass473.08
IUPAC Name3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1nc2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F
InChIInChI=1S/C21H11F8N3O/c1-9-19(18-14(23)5-11(33)6-15(18)24)32-8-16(30-7-17(32)31-9)10-2-3-13(22)12(4-10)20(25,26)21(27,28)29/h2-8,33H,1H3
InChIKeyGFODWVNDLITPNF-UHFFFAOYSA-N
XLogP6.15
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.32
LogP ≤ 56.15
H-Bond Donors ≤ 51
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 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol (CID 137287279) is 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol is Cc1nc2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is GFODWVNDLITPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F8N3O/c1-9-19(18-14(23)5-11(33)6-15(18)24)32-8-16(30-7-17(32)31-9)10-2-3-13(22)12(4-10)20(25,26)21(27,28)29/h2-8,33H,1H3.
What are the key properties of 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 473.32 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137287279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).