4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

C20H10F6N2S — CID 154634760

IUPAC4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3)c3sccc23)c1
InChIInChI=1S/C20H10F6N2S/c21-19(22,23)13-5-1-3-11(9-13)16-15-7-8-29-18(15)17(28-27-16)12-4-2-6-14(10-12)20(24,25)26/h1-10H
InChIKeyQVYWCNXMWKPGFD-UHFFFAOYSA-N
MW424.37 g/mol
LogP7.06
Rot. Bonds2

About 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (PubChem CID 154634760) has the molecular formula C20H10F6N2S and a molecular weight of 424.37 g/mol. Its IUPAC name is 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
PubChem CID154634760
Molecular FormulaC20H10F6N2S
Molecular Weight424.37 g/mol
Exact Mass424.05
IUPAC Name4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3)c3sccc23)c1
InChIInChI=1S/C20H10F6N2S/c21-19(22,23)13-5-1-3-11(9-13)16-15-7-8-29-18(15)17(28-27-16)12-4-2-6-14(10-12)20(24,25)26/h1-10H
InChIKeyQVYWCNXMWKPGFD-UHFFFAOYSA-N
XLogP7.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (CID 154634760) is 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is FC(F)(F)c1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3)c3sccc23)c1.
What is the InChIKey of 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The InChIKey is QVYWCNXMWKPGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N2S/c21-19(22,23)13-5-1-3-11(9-13)16-15-7-8-29-18(15)17(28-27-16)12-4-2-6-14(10-12)20(24,25)26/h1-10H.
What are the key properties of 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine has a molecular weight of 424.37 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 154634760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).