2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one

C13H11F3N2O2 — CID 99844125

IUPAC2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-3-5-11(6-4-10)20-9-8-18-12(19)2-1-7-17-18/h1-7H,8-9H2
InChIKeyHFLVTYIIAISUMY-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.34
Rot. Bonds4

About 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one

2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one (PubChem CID 99844125) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one
PubChem CID99844125
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-3-5-11(6-4-10)20-9-8-18-12(19)2-1-7-17-18/h1-7H,8-9H2
InChIKeyHFLVTYIIAISUMY-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one (CID 99844125) is 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one is O=c1cccnn1CCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one?
The InChIKey is HFLVTYIIAISUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)10-3-5-11(6-4-10)20-9-8-18-12(19)2-1-7-17-18/h1-7H,8-9H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one?
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one has a molecular weight of 284.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazin-3-one is sourced from PubChem (CID 99844125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).