5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile

C18H9F4N3O2 — CID 142007582

IUPAC5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile
SMILESN#Cc1cc(F)c(-n2ncc(C(F)(F)F)cc2=O)cc1Oc1ccccc1
InChIInChI=1S/C18H9F4N3O2/c19-14-6-11(9-23)16(27-13-4-2-1-3-5-13)8-15(14)25-17(26)7-12(10-24-25)18(20,21)22/h1-8,10H
InChIKeyFFMKTWBZADPMIT-UHFFFAOYSA-N
MW375.28 g/mol
LogP4.05
Rot. Bonds3

About 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile

5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile (PubChem CID 142007582) has the molecular formula C18H9F4N3O2 and a molecular weight of 375.28 g/mol. Its IUPAC name is 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile.

Molecular Properties

Compound Name5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile
PubChem CID142007582
Molecular FormulaC18H9F4N3O2
Molecular Weight375.28 g/mol
Exact Mass375.06
IUPAC Name5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile
SMILESN#Cc1cc(F)c(-n2ncc(C(F)(F)F)cc2=O)cc1Oc1ccccc1
InChIInChI=1S/C18H9F4N3O2/c19-14-6-11(9-23)16(27-13-4-2-1-3-5-13)8-15(14)25-17(26)7-12(10-24-25)18(20,21)22/h1-8,10H
InChIKeyFFMKTWBZADPMIT-UHFFFAOYSA-N
XLogP4.05
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile 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 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile?
The IUPAC name of 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile (CID 142007582) is 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile.
What is the SMILES notation for 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile?
The canonical SMILES for 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile is N#Cc1cc(F)c(-n2ncc(C(F)(F)F)cc2=O)cc1Oc1ccccc1.
What is the InChIKey of 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile?
The InChIKey is FFMKTWBZADPMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F4N3O2/c19-14-6-11(9-23)16(27-13-4-2-1-3-5-13)8-15(14)25-17(26)7-12(10-24-25)18(20,21)22/h1-8,10H.
What are the key properties of 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile?
5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile has a molecular weight of 375.28 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-2-phenoxybenzonitrile is sourced from PubChem (CID 142007582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).