3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one

C6H4F6N2O — CID 102344958

IUPAC3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C6H4F6N2O/c7-5(8,9)2-1-3(6(10,11)12)13-14-4(2)15/h2H,1H2,(H,14,15)
InChIKeyJYORFUBOOYJLHH-UHFFFAOYSA-N
MW234.10 g/mol
LogP1.60
Rot. Bonds

About 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one

3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 102344958) has the molecular formula C6H4F6N2O and a molecular weight of 234.10 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID102344958
Molecular FormulaC6H4F6N2O
Molecular Weight234.10 g/mol
Exact Mass234.02
IUPAC Name3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C6H4F6N2O/c7-5(8,9)2-1-3(6(10,11)12)13-14-4(2)15/h2H,1H2,(H,14,15)
InChIKeyJYORFUBOOYJLHH-UHFFFAOYSA-N
XLogP1.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Trifluoromethyl)-4,5-dihydropyridazin-3(2H)-one
CID 49760652
4,6-Dimethyl-4,5-dihydropyridazin-3(2H)-one
CID 13295913
3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
CID 12027506
5-ethyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135195982
3-(difluoromethyl)-5-ethyl-4,5-dihydro-1H-pyridazin-6-one
CID 135195985
2-[5-Oxo-3-(trifluoromethyl)-1,4-dihydropyrazol-4-yl]acetamide
CID 83398771
3-(difluoromethyl)-4,5-dihydro-1H-pyridazin-6-one
CID 99985959

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one (CID 102344958) is 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(C(F)(F)F)CC1C(F)(F)F.
What is the InChIKey of 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JYORFUBOOYJLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2O/c7-5(8,9)2-1-3(6(10,11)12)13-14-4(2)15/h2H,1H2,(H,14,15).
What are the key properties of 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one?
3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 234.10 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 102344958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).