4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one

C5HCl2F3N2O — CID 130608876

IUPAC4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C(F)(F)F
InChIInChI=1S/C5HCl2F3N2O/c6-2-1-11-12(5(8,9)10)4(13)3(2)7/h1H
InChIKeyKLLVCWSTEZCWIO-UHFFFAOYSA-N
MW232.98 g/mol
LogP2.03
Rot. Bonds

About 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one

4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one (PubChem CID 130608876) has the molecular formula C5HCl2F3N2O and a molecular weight of 232.98 g/mol. Its IUPAC name is 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one
PubChem CID130608876
Molecular FormulaC5HCl2F3N2O
Molecular Weight232.98 g/mol
Exact Mass231.94
IUPAC Name4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C(F)(F)F
InChIInChI=1S/C5HCl2F3N2O/c6-2-1-11-12(5(8,9)10)4(13)3(2)7/h1H
InChIKeyKLLVCWSTEZCWIO-UHFFFAOYSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.98
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-Trichloropyridazin-3(2H)-one
CID 352733
4,5-Dichloro-2-(2,2,2-trifluoroethyl)-3(2H)-pyridazinone
CID 13881556
2-Alumanyl-4-chloro-5-fluoropyridazin-3-one
CID 147756159
4-Chloro-2-(trifluoromethyl)pyridazin-3-one
CID 174258625
4,5-Dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
CID 175344533
2-Chloromethyl-4,5-dichloropyridazin-3(2H)-one
CID 4466062
4-Chloro-5-fluoro-2-methylpyridazin-3-one
CID 84075943
4,5-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
CID 106705714
4,5-Dichloro-2-(difluoromethyl)pyridazin-3-one
CID 114386460
4,5-Dichloro-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114386472
4,5-Dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 115590087
4,5-Dichloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 115616647

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one (CID 130608876) is 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one?
The InChIKey is KLLVCWSTEZCWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F3N2O/c6-2-1-11-12(5(8,9)10)4(13)3(2)7/h1H.
What are the key properties of 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one?
4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one has a molecular weight of 232.98 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 130608876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).