4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine

C14H19FN2S — CID 176700940

IUPAC4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c(F)csc12
InChIInChI=1S/C14H19FN2S/c1-13(2,3)11-9-8(15)7-18-10(9)12(17-16-11)14(4,5)6/h7H,1-6H3
InChIKeyCUZWDHYUAIZJEB-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.43
Rot. Bonds

About 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine

4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine (PubChem CID 176700940) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine
PubChem CID176700940
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine
SMILESCC(C)(C)c1nnc(C(C)(C)C)c2c(F)csc12
InChIInChI=1S/C14H19FN2S/c1-13(2,3)11-9-8(15)7-18-10(9)12(17-16-11)14(4,5)6/h7H,1-6H3
InChIKeyCUZWDHYUAIZJEB-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Butan-2-yl-3-fluoro-4-(2-methylbutan-2-yl)thieno[2,3-d]pyridazine
CID 176701364
1,4-Dimethylthieno[3,4-d]pyridazine
CID 22892588
4-Tert-butyl-2,3-dimethylthieno[2,3-d]pyridazine
CID 57929995
3,7-Di(propan-2-yl)thieno[2,3-d]pyridazine
CID 58110622
4,7-Di(propan-2-yl)thieno[3,2-c]pyridazine
CID 58110791
7-Tert-butyl-4-methylthieno[2,3-d]pyridazine
CID 59767010
4,7-Dimethylthieno[2,3-d]pyridazine
CID 70562309
3-Methyl-7-propan-2-ylthieno[2,3-d]pyridazine
CID 88983487
7-Ethyl-4-methylthieno[2,3-d]pyridazine
CID 89250457
1,4,5,7-Tetramethylthieno[3,4-d]pyridazine
CID 117733430
4-Methyl-7-(3-methylpentan-3-yl)thieno[2,3-d]pyridazine
CID 129143496
4-Methyl-7-propan-2-ylthieno[2,3-d]pyridazine
CID 148200162

Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine?
The IUPAC name of 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine (CID 176700940) is 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine.
What is the SMILES notation for 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine?
The canonical SMILES for 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine is CC(C)(C)c1nnc(C(C)(C)C)c2c(F)csc12.
What is the InChIKey of 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine?
The InChIKey is CUZWDHYUAIZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-13(2,3)11-9-8(15)7-18-10(9)12(17-16-11)14(4,5)6/h7H,1-6H3.
What are the key properties of 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine?
4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine has a molecular weight of 266.38 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-3-fluorothieno[2,3-d]pyridazine is sourced from PubChem (CID 176700940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).