2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one

C10H11F3N2O2 — CID 175860897

IUPAC2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)ccnn1C1CCCCO1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-4-5-14-15(9(7)16)8-3-1-2-6-17-8/h4-5,8H,1-3,6H2
InChIKeyUGAPSTBRZLYVGZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.96
Rot. Bonds1

About 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one

2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 175860897) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one
PubChem CID175860897
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one
SMILESO=c1c(C(F)(F)F)ccnn1C1CCCCO1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-4-5-14-15(9(7)16)8-3-1-2-6-17-8/h4-5,8H,1-3,6H2
InChIKeyUGAPSTBRZLYVGZ-UHFFFAOYSA-N
XLogP1.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one (CID 175860897) is 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one is O=c1c(C(F)(F)F)ccnn1C1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is UGAPSTBRZLYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7-4-5-14-15(9(7)16)8-3-1-2-6-17-8/h4-5,8H,1-3,6H2.
What are the key properties of 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one?
2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 248.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 175860897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).