4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one

C7H5Cl2F3N2OS — CID 114386473

IUPAC4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCSC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2OS/c8-4-3-13-14(6(15)5(4)9)1-2-16-7(10,11)12/h3H,1-2H2
InChIKeyFWFGGTUWZGTLTE-UHFFFAOYSA-N
MW293.10 g/mol
LogP2.80
Rot. Bonds3

About 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one

4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one (PubChem CID 114386473) has the molecular formula C7H5Cl2F3N2OS and a molecular weight of 293.10 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
PubChem CID114386473
Molecular FormulaC7H5Cl2F3N2OS
Molecular Weight293.10 g/mol
Exact Mass291.95
IUPAC Name4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCSC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2OS/c8-4-3-13-14(6(15)5(4)9)1-2-16-7(10,11)12/h3H,1-2H2
InChIKeyFWFGGTUWZGTLTE-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one (CID 114386473) is 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCSC(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
The InChIKey is FWFGGTUWZGTLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2OS/c8-4-3-13-14(6(15)5(4)9)1-2-16-7(10,11)12/h3H,1-2H2.
What are the key properties of 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one has a molecular weight of 293.10 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 114386473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).