4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane

C16H17F5N4O — CID 143347759

IUPAC4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane
SMILESCC.O=C1CC(C=C(F)F)CN1Cc1c(C(F)(F)F)nc2cccnn12
InChIInChI=1S/C14H11F5N4O.C2H6/c15-10(16)4-8-5-12(24)22(6-8)7-9-13(14(17,18)19)21-11-2-1-3-20-23(9)11;1-2/h1-4,8H,5-7H2;1-2H3
InChIKeyVFPKRYBUQZTTJD-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.90
Rot. Bonds3

About 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane

4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane (PubChem CID 143347759) has the molecular formula C16H17F5N4O and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane
PubChem CID143347759
Molecular FormulaC16H17F5N4O
Molecular Weight376.33 g/mol
Exact Mass376.13
IUPAC Name4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane
SMILESCC.O=C1CC(C=C(F)F)CN1Cc1c(C(F)(F)F)nc2cccnn12
InChIInChI=1S/C14H11F5N4O.C2H6/c15-10(16)4-8-5-12(24)22(6-8)7-9-13(14(17,18)19)21-11-2-1-3-20-23(9)11;1-2/h1-4,8H,5-7H2;1-2H3
InChIKeyVFPKRYBUQZTTJD-UHFFFAOYSA-N
XLogP3.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane?
The IUPAC name of 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane (CID 143347759) is 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane.
What is the SMILES notation for 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane?
The canonical SMILES for 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane is CC.O=C1CC(C=C(F)F)CN1Cc1c(C(F)(F)F)nc2cccnn12.
What is the InChIKey of 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane?
The InChIKey is VFPKRYBUQZTTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N4O.C2H6/c15-10(16)4-8-5-12(24)22(6-8)7-9-13(14(17,18)19)21-11-2-1-3-20-23(9)11;1-2/h1-4,8H,5-7H2;1-2H3.
What are the key properties of 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane?
4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane has a molecular weight of 376.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane is sourced from PubChem (CID 143347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).