1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate

C8H8ClFN2O2 — CID 174632857

IUPAC1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate
SMILESCC(OC(=O)CF)c1ccc(Cl)nn1
InChIInChI=1S/C8H8ClFN2O2/c1-5(14-8(13)4-10)6-2-3-7(9)12-11-6/h2-3,5H,4H2,1H3
InChIKeyZYYAMWZRBJUTFU-UHFFFAOYSA-N
MW218.61 g/mol
LogP1.70
Rot. Bonds3

About 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate

1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate (PubChem CID 174632857) has the molecular formula C8H8ClFN2O2 and a molecular weight of 218.61 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate
PubChem CID174632857
Molecular FormulaC8H8ClFN2O2
Molecular Weight218.61 g/mol
Exact Mass218.03
IUPAC Name1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate
SMILESCC(OC(=O)CF)c1ccc(Cl)nn1
InChIInChI=1S/C8H8ClFN2O2/c1-5(14-8(13)4-10)6-2-3-7(9)12-11-6/h2-3,5H,4H2,1H3
InChIKeyZYYAMWZRBJUTFU-UHFFFAOYSA-N
XLogP1.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate?
The IUPAC name of 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate (CID 174632857) is 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate is CC(OC(=O)CF)c1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate?
The InChIKey is ZYYAMWZRBJUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O2/c1-5(14-8(13)4-10)6-2-3-7(9)12-11-6/h2-3,5H,4H2,1H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate?
1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate has a molecular weight of 218.61 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)ethyl 2-fluoroacetate is sourced from PubChem (CID 174632857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).