4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one

C6H3Cl2F3N2O — CID 175344533

IUPAC4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C(F)C(F)F
InChIInChI=1S/C6H3Cl2F3N2O/c7-2-1-12-13(5(11)4(9)10)6(14)3(2)8/h1,4-5H
InChIKeyCKSMMOJDIQQSOK-UHFFFAOYSA-N
MW247.00 g/mol
LogP2.28
Rot. Bonds2

About 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one

4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 175344533) has the molecular formula C6H3Cl2F3N2O and a molecular weight of 247.00 g/mol. Its IUPAC name is 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID175344533
Molecular FormulaC6H3Cl2F3N2O
Molecular Weight247.00 g/mol
Exact Mass245.96
IUPAC Name4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C(F)C(F)F
InChIInChI=1S/C6H3Cl2F3N2O/c7-2-1-12-13(5(11)4(9)10)6(14)3(2)8/h1,4-5H
InChIKeyCKSMMOJDIQQSOK-UHFFFAOYSA-N
XLogP2.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 52.28
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-(1,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one (CID 175344533) is 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C(F)C(F)F.
What is the InChIKey of 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is CKSMMOJDIQQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2O/c7-2-1-12-13(5(11)4(9)10)6(14)3(2)8/h1,4-5H.
What are the key properties of 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one?
4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 247.00 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 175344533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).