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

C7H5Cl2F3N2O — CID 115590087

IUPAC4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O/c8-4-3-13-14(6(15)5(4)9)2-1-7(10,11)12/h3H,1-2H2
InChIKeyBJMXAXMWCLFOEO-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.50
Rot. Bonds2

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

4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one (PubChem CID 115590087) has the molecular formula C7H5Cl2F3N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one
PubChem CID115590087
Molecular FormulaC7H5Cl2F3N2O
Molecular Weight261.03 g/mol
Exact Mass259.97
IUPAC Name4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O/c8-4-3-13-14(6(15)5(4)9)2-1-7(10,11)12/h3H,1-2H2
InChIKeyBJMXAXMWCLFOEO-UHFFFAOYSA-N
XLogP2.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one
CID 247944
4,5-Dichloro-2-(2,2,2-trifluoroethyl)-3(2H)-pyridazinone
CID 13881556
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
3-(5-Chloro-4-fluoro-6-oxopyridazin-1-yl)propanoyl chloride
CID 20194938
4-Chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 54720290
4,5-Dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
CID 175344533
4-Chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099251
4-Chloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 178099315
4-Chloro-5-fluoro-2-methylpyridazin-3-one
CID 84075943
4,5-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
CID 106705714

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one (CID 115590087) is 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCC(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one?
The InChIKey is BJMXAXMWCLFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O/c8-4-3-13-14(6(15)5(4)9)2-1-7(10,11)12/h3H,1-2H2.
What are the key properties of 4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one?
4,5-dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one has a molecular weight of 261.03 g/mol, XLogP of 2.50, 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-(3,3,3-trifluoropropyl)pyridazin-3-one is sourced from PubChem (CID 115590087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).