4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

C22H8F12N2S — CID 154634761

IUPAC4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cc(-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3sccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C22H8F12N2S/c23-19(24,25)11-3-9(4-12(7-11)20(26,27)28)16-15-1-2-37-18(15)17(36-35-16)10-5-13(21(29,30)31)8-14(6-10)22(32,33)34/h1-8H
InChIKeyFNHZHYYQGHXAAY-UHFFFAOYSA-N
MW560.36 g/mol
LogP9.10
Rot. Bonds2

About 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (PubChem CID 154634761) has the molecular formula C22H8F12N2S and a molecular weight of 560.36 g/mol. Its IUPAC name is 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
PubChem CID154634761
Molecular FormulaC22H8F12N2S
Molecular Weight560.36 g/mol
Exact Mass560.02
IUPAC Name4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cc(-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3sccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C22H8F12N2S/c23-19(24,25)11-3-9(4-12(7-11)20(26,27)28)16-15-1-2-37-18(15)17(36-35-16)10-5-13(21(29,30)31)8-14(6-10)22(32,33)34/h1-8H
InChIKeyFNHZHYYQGHXAAY-UHFFFAOYSA-N
XLogP9.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.36
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (CID 154634761) is 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is FC(F)(F)c1cc(-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3sccc23)cc(C(F)(F)F)c1.
What is the InChIKey of 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The InChIKey is FNHZHYYQGHXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8F12N2S/c23-19(24,25)11-3-9(4-12(7-11)20(26,27)28)16-15-1-2-37-18(15)17(36-35-16)10-5-13(21(29,30)31)8-14(6-10)22(32,33)34/h1-8H.
What are the key properties of 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine has a molecular weight of 560.36 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 154634761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).