6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one

C13H14F3NOS — CID 69094797

IUPAC6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1c(CCCCCC(F)(F)F)c[nH]c2ccsc12
InChIInChI=1S/C13H14F3NOS/c14-13(15,16)6-3-1-2-4-9-8-17-10-5-7-19-12(10)11(9)18/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyLQVRHHGVRWLSOL-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.25
Rot. Bonds5

About 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one

6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one (PubChem CID 69094797) has the molecular formula C13H14F3NOS and a molecular weight of 289.32 g/mol. Its IUPAC name is 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one
PubChem CID69094797
Molecular FormulaC13H14F3NOS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1c(CCCCCC(F)(F)F)c[nH]c2ccsc12
InChIInChI=1S/C13H14F3NOS/c14-13(15,16)6-3-1-2-4-9-8-17-10-5-7-19-12(10)11(9)18/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyLQVRHHGVRWLSOL-UHFFFAOYSA-N
XLogP4.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thieno(3,2-b)pyridin-7-ol
CID 5074765
CID 2210533
CID 2210533
CID 2210693
CID 2210693
(E)-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2210635
(E)-1-thiophen-2-yl-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2211868
4,6-Dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
CID 59284141
2,4,6-Trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
CID 59284276
5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
CID 66353058
2-(1,1,1-trifluorohexan-2-yl)-4H-thieno[3,2-b]pyridin-7-one
CID 69094796
2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
CID 69094798
2-fluoro-4H-thieno[3,2-b]pyridin-7-one
CID 143542184
2-(4-fluorophenyl)-4H-thieno[3,2-b]pyridin-7-one
CID 153673400

Frequently Asked Questions

What is the IUPAC name of 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one (CID 69094797) is 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one is O=c1c(CCCCCC(F)(F)F)c[nH]c2ccsc12.
What is the InChIKey of 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one?
The InChIKey is LQVRHHGVRWLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NOS/c14-13(15,16)6-3-1-2-4-9-8-17-10-5-7-19-12(10)11(9)18/h5,7-8H,1-4,6H2,(H,17,18).
What are the key properties of 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one?
6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one has a molecular weight of 289.32 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 69094797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).