2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one

C14H11ClF4N2O2 — CID 18330788

IUPAC2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)Oc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl
InChIInChI=1S/C14H11ClF4N2O2/c1-7(2)23-12-5-11(10(16)4-9(12)15)21-13(22)3-8(6-20-21)14(17,18)19/h3-7H,1-2H3
InChIKeyQKQZXTACUTXCNX-UHFFFAOYSA-N
MW350.70 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one

2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 18330788) has the molecular formula C14H11ClF4N2O2 and a molecular weight of 350.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
PubChem CID18330788
Molecular FormulaC14H11ClF4N2O2
Molecular Weight350.70 g/mol
Exact Mass350.04
IUPAC Name2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)Oc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl
InChIInChI=1S/C14H11ClF4N2O2/c1-7(2)23-12-5-11(10(16)4-9(12)15)21-13(22)3-8(6-20-21)14(17,18)19/h3-7H,1-2H3
InChIKeyQKQZXTACUTXCNX-UHFFFAOYSA-N
XLogP3.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.70
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one 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 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one (CID 18330788) is 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one is CC(C)Oc1cc(-n2ncc(C(F)(F)F)cc2=O)c(F)cc1Cl.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is QKQZXTACUTXCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N2O2/c1-7(2)23-12-5-11(10(16)4-9(12)15)21-13(22)3-8(6-20-21)14(17,18)19/h3-7H,1-2H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 350.70 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 18330788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).