4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one

C11H4Cl3F3N2O — CID 796505

IUPAC4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H4Cl3F3N2O/c12-7-2-1-5(3-6(7)11(15,16)17)19-10(20)9(14)8(13)4-18-19/h1-4H
InChIKeyAGAUXSXAYBJHAY-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.21
Rot. Bonds1

About 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one

4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one (PubChem CID 796505) has the molecular formula C11H4Cl3F3N2O and a molecular weight of 343.52 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one
PubChem CID796505
Molecular FormulaC11H4Cl3F3N2O
Molecular Weight343.52 g/mol
Exact Mass341.93
IUPAC Name4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H4Cl3F3N2O/c12-7-2-1-5(3-6(7)11(15,16)17)19-10(20)9(14)8(13)4-18-19/h1-4H
InChIKeyAGAUXSXAYBJHAY-UHFFFAOYSA-N
XLogP4.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one (CID 796505) is 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one?
The InChIKey is AGAUXSXAYBJHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2O/c12-7-2-1-5(3-6(7)11(15,16)17)19-10(20)9(14)8(13)4-18-19/h1-4H.
What are the key properties of 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one?
4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one has a molecular weight of 343.52 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-chloro-3-(trifluoromethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 796505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).