2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one

C13H7F3N2OS — CID 11666508

IUPAC2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one
SMILESO=c1[nH]ncc2cc(-c3ccc(C(F)(F)F)cc3)sc12
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)9-3-1-7(2-4-9)10-5-8-6-17-18-12(19)11(8)20-10/h1-6H,(H,18,19)
InChIKeyOQZWYQBHIREUKH-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.67
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one

2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one (PubChem CID 11666508) has the molecular formula C13H7F3N2OS and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one
PubChem CID11666508
Molecular FormulaC13H7F3N2OS
Molecular Weight296.27 g/mol
Exact Mass296.02
IUPAC Name2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one
SMILESO=c1[nH]ncc2cc(-c3ccc(C(F)(F)F)cc3)sc12
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)9-3-1-7(2-4-9)10-5-8-6-17-18-12(19)11(8)20-10/h1-6H,(H,18,19)
InChIKeyOQZWYQBHIREUKH-UHFFFAOYSA-N
XLogP3.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one (CID 11666508) is 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one is O=c1[nH]ncc2cc(-c3ccc(C(F)(F)F)cc3)sc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one?
The InChIKey is OQZWYQBHIREUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2OS/c14-13(15,16)9-3-1-7(2-4-9)10-5-8-6-17-18-12(19)11(8)20-10/h1-6H,(H,18,19).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one?
2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one has a molecular weight of 296.27 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 11666508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).