4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one

C7H7F3N2O3 — CID 156733424

IUPAC4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OCCO)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)5-4(15-2-1-13)3-11-12-6(5)14/h3,13H,1-2H2,(H,12,14)
InChIKeyFAHMAHHYILDORN-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.16
Rot. Bonds3

About 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 156733424) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID156733424
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(OCCO)c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)5-4(15-2-1-13)3-11-12-6(5)14/h3,13H,1-2H2,(H,12,14)
InChIKeyFAHMAHHYILDORN-UHFFFAOYSA-N
XLogP0.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 156733424) is 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]ncc(OCCO)c1C(F)(F)F.
What is the InChIKey of 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is FAHMAHHYILDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)5-4(15-2-1-13)3-11-12-6(5)14/h3,13H,1-2H2,(H,12,14).
What are the key properties of 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 224.14 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 156733424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).