8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine

C12H6F3NOS — CID 22765599

IUPAC8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine
SMILESFC(F)(F)c1ccc2c(c1)Sc1ncccc1O2
InChIInChI=1S/C12H6F3NOS/c13-12(14,15)7-3-4-8-10(6-7)18-11-9(17-8)2-1-5-16-11/h1-6H
InChIKeyFKXBUOXNOFOTSA-UHFFFAOYSA-N
MW269.25 g/mol
LogP4.36
Rot. Bonds

About 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine

8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine (PubChem CID 22765599) has the molecular formula C12H6F3NOS and a molecular weight of 269.25 g/mol. Its IUPAC name is 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine.

Molecular Properties

Compound Name8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine
PubChem CID22765599
Molecular FormulaC12H6F3NOS
Molecular Weight269.25 g/mol
Exact Mass269.01
IUPAC Name8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine
SMILESFC(F)(F)c1ccc2c(c1)Sc1ncccc1O2
InChIInChI=1S/C12H6F3NOS/c13-12(14,15)7-3-4-8-10(6-7)18-11-9(17-8)2-1-5-16-11/h1-6H
InChIKeyFKXBUOXNOFOTSA-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine?
The IUPAC name of 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine (CID 22765599) is 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine.
What is the SMILES notation for 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine?
The canonical SMILES for 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine is FC(F)(F)c1ccc2c(c1)Sc1ncccc1O2.
What is the InChIKey of 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine?
The InChIKey is FKXBUOXNOFOTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NOS/c13-12(14,15)7-3-4-8-10(6-7)18-11-9(17-8)2-1-5-16-11/h1-6H.
What are the key properties of 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine?
8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine has a molecular weight of 269.25 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-[1,4]benzoxathiino[3,2-b]pyridine is sourced from PubChem (CID 22765599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).