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

C7H5Cl2F3N2O2 — CID 114386423

IUPAC4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCOC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-3-13-14(6(15)5(4)9)1-2-16-7(10,11)12/h3H,1-2H2
InChIKeyZRHHYQCAXNKAFY-UHFFFAOYSA-N
MW277.03 g/mol
LogP2.09
Rot. Bonds3

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

4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one (PubChem CID 114386423) has the molecular formula C7H5Cl2F3N2O2 and a molecular weight of 277.03 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
PubChem CID114386423
Molecular FormulaC7H5Cl2F3N2O2
Molecular Weight277.03 g/mol
Exact Mass275.97
IUPAC Name4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCOC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-3-13-14(6(15)5(4)9)1-2-16-7(10,11)12/h3H,1-2H2
InChIKeyZRHHYQCAXNKAFY-UHFFFAOYSA-N
XLogP2.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.03
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dichloro-2-(2,2,2-trifluoroethyl)-3(2H)-pyridazinone
CID 13881556
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
CID 162727608
4,5-Dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
CID 175344533
4,5-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
CID 106705714
4,5-Dichloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 115584264
4,5-Dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 115590087
4,5-Dichloro-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 115590557
4,5-Dichloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 115616647
4,5-Dichloro-2-(2-hydroxyethyl)pyridazin-3(2H)-one
CID 12473886
4,5-dichloro-2-(2-methoxy-ethyl)-2H-pyridazin-3-one
CID 66864935
4,5-Dichloro-2-(oxetan-3-yl)pyridazin-3-one
CID 130615454
4,5-Dichloro-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182079

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one (CID 114386423) is 4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCOC(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one?
The InChIKey is ZRHHYQCAXNKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O2/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-(trifluoromethoxy)ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one has a molecular weight of 277.03 g/mol, XLogP of 2.09, 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-(trifluoromethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 114386423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).