6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole

C13H8F5NOS — CID 141026879

IUPAC6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole
SMILESFC(F)(F)C(F)(F)COc1ccc2c(c1)Cc1scnc1-2
InChIInChI=1S/C13H8F5NOS/c14-12(15,13(16,17)18)5-20-8-1-2-9-7(3-8)4-10-11(9)19-6-21-10/h1-3,6H,4-5H2
InChIKeyFNCKFIHOUBJLNF-UHFFFAOYSA-N
MW321.27 g/mol
LogP4.29
Rot. Bonds3

About 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole

6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole (PubChem CID 141026879) has the molecular formula C13H8F5NOS and a molecular weight of 321.27 g/mol. Its IUPAC name is 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole.

Molecular Properties

Compound Name6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole
PubChem CID141026879
Molecular FormulaC13H8F5NOS
Molecular Weight321.27 g/mol
Exact Mass321.02
IUPAC Name6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole
SMILESFC(F)(F)C(F)(F)COc1ccc2c(c1)Cc1scnc1-2
InChIInChI=1S/C13H8F5NOS/c14-12(15,13(16,17)18)5-20-8-1-2-9-7(3-8)4-10-11(9)19-6-21-10/h1-3,6H,4-5H2
InChIKeyFNCKFIHOUBJLNF-UHFFFAOYSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole?
The IUPAC name of 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole (CID 141026879) is 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole.
What is the SMILES notation for 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole?
The canonical SMILES for 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole is FC(F)(F)C(F)(F)COc1ccc2c(c1)Cc1scnc1-2.
What is the InChIKey of 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole?
The InChIKey is FNCKFIHOUBJLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NOS/c14-12(15,13(16,17)18)5-20-8-1-2-9-7(3-8)4-10-11(9)19-6-21-10/h1-3,6H,4-5H2.
What are the key properties of 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole?
6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole has a molecular weight of 321.27 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3,3-pentafluoropropoxy)-4H-indeno[1,2-d][1,3]thiazole is sourced from PubChem (CID 141026879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).