4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one

C8H11F2N3O2 — CID 107495495

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(N(CCO)CC(F)F)cn[nH]1
InChIInChI=1S/C8H11F2N3O2/c9-7(10)5-13(1-2-14)6-3-8(15)12-11-4-6/h3-4,7,14H,1-2,5H2,(H,12,15)
InChIKeyQWGRGTAHCFUZET-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.17
Rot. Bonds5

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one (PubChem CID 107495495) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
PubChem CID107495495
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
SMILESO=c1cc(N(CCO)CC(F)F)cn[nH]1
InChIInChI=1S/C8H11F2N3O2/c9-7(10)5-13(1-2-14)6-3-8(15)12-11-4-6/h3-4,7,14H,1-2,5H2,(H,12,15)
InChIKeyQWGRGTAHCFUZET-UHFFFAOYSA-N
XLogP-0.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one (CID 107495495) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one is O=c1cc(N(CCO)CC(F)F)cn[nH]1.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
The InChIKey is QWGRGTAHCFUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-7(10)5-13(1-2-14)6-3-8(15)12-11-4-6/h3-4,7,14H,1-2,5H2,(H,12,15).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one has a molecular weight of 219.19 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 107495495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).