7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

C13H7F3N2S — CID 12898449

IUPAC7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cccc(-c2nncc3ccsc23)c1
InChIInChI=1S/C13H7F3N2S/c14-13(15,16)10-3-1-2-8(6-10)11-12-9(4-5-19-12)7-17-18-11/h1-7H
InChIKeyOOVFSXFANSRBPB-UHFFFAOYSA-N
MW280.27 g/mol
LogP4.38
Rot. Bonds1

About 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (PubChem CID 12898449) has the molecular formula C13H7F3N2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
PubChem CID12898449
Molecular FormulaC13H7F3N2S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC Name7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cccc(-c2nncc3ccsc23)c1
InChIInChI=1S/C13H7F3N2S/c14-13(15,16)10-3-1-2-8(6-10)11-12-9(4-5-19-12)7-17-18-11/h1-7H
InChIKeyOOVFSXFANSRBPB-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (CID 12898449) is 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is FC(F)(F)c1cccc(-c2nncc3ccsc23)c1.
What is the InChIKey of 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The InChIKey is OOVFSXFANSRBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2S/c14-13(15,16)10-3-1-2-8(6-10)11-12-9(4-5-19-12)7-17-18-11/h1-7H.
What are the key properties of 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine has a molecular weight of 280.27 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 12898449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).