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

C7H5Cl2F3N2O2 — CID 106705714

IUPAC4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1COCC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-1-13-14(6(15)5(4)9)3-16-2-7(10,11)12/h1H,2-3H2
InChIKeyXSJSUZZMDCMCMN-UHFFFAOYSA-N
MW277.03 g/mol
LogP2.09
Rot. Bonds3

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

4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one (PubChem CID 106705714) has the molecular formula C7H5Cl2F3N2O2 and a molecular weight of 277.03 g/mol. Its IUPAC name is 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
PubChem CID106705714
Molecular FormulaC7H5Cl2F3N2O2
Molecular Weight277.03 g/mol
Exact Mass275.97
IUPAC Name4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1COCC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-1-13-14(6(15)5(4)9)3-16-2-7(10,11)12/h1H,2-3H2
InChIKeyXSJSUZZMDCMCMN-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
4,5-Dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
CID 175344533
4,5-dichloro-2-(ethoxymethyl)-3(2H)-pyridazinone
CID 13270700
4,5-Dichloro-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114386423
4,5-Dichloro-2-(difluoromethyl)pyridazin-3-one
CID 114386460
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-(trifluoromethyl)pyridazin-3-one
CID 130608876
4,5-dichloro-2-methoxymethyl-2H-pyridazin-3-one
CID 12351834
4,5-Dichloro-2-(2-methoxyethoxymethyl)pyridazin-3-one
CID 22358184

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one (CID 106705714) is 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1COCC(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
The InChIKey is XSJSUZZMDCMCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O2/c8-4-1-13-14(6(15)5(4)9)3-16-2-7(10,11)12/h1H,2-3H2.
What are the key properties of 4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
4,5-dichloro-2-(2,2,2-trifluoroethoxymethyl)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-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 106705714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).