2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one

C10H13F2N3O — CID 30937350

IUPAC2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC(F)F
InChIInChI=1S/C10H13F2N3O/c11-9(12)7-15-10(16)5-8(6-13-15)14-3-1-2-4-14/h5-6,9H,1-4,7H2
InChIKeyYXXBBUBBDZYLAU-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.11
Rot. Bonds3

About 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 30937350) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID30937350
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC(F)F
InChIInChI=1S/C10H13F2N3O/c11-9(12)7-15-10(16)5-8(6-13-15)14-3-1-2-4-14/h5-6,9H,1-4,7H2
InChIKeyYXXBBUBBDZYLAU-UHFFFAOYSA-N
XLogP1.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 30937350) is 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is YXXBBUBBDZYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-9(12)7-15-10(16)5-8(6-13-15)14-3-1-2-4-14/h5-6,9H,1-4,7H2.
What are the key properties of 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 229.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 30937350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).