2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone

C15H8F3NOS — CID 68508529

IUPAC2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone
SMILESO=C(c1sccc1-c1cccc2ncccc12)C(F)(F)F
InChIInChI=1S/C15H8F3NOS/c16-15(17,18)14(20)13-11(6-8-21-13)9-3-1-5-12-10(9)4-2-7-19-12/h1-8H
InChIKeyYNZYITOFBHHFET-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.71
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone

2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone (PubChem CID 68508529) has the molecular formula C15H8F3NOS and a molecular weight of 307.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone
PubChem CID68508529
Molecular FormulaC15H8F3NOS
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC Name2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone
SMILESO=C(c1sccc1-c1cccc2ncccc12)C(F)(F)F
InChIInChI=1S/C15H8F3NOS/c16-15(17,18)14(20)13-11(6-8-21-13)9-3-1-5-12-10(9)4-2-7-19-12/h1-8H
InChIKeyYNZYITOFBHHFET-UHFFFAOYSA-N
XLogP4.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone (CID 68508529) is 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone is O=C(c1sccc1-c1cccc2ncccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone?
The InChIKey is YNZYITOFBHHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NOS/c16-15(17,18)14(20)13-11(6-8-21-13)9-3-1-5-12-10(9)4-2-7-19-12/h1-8H.
What are the key properties of 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone?
2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone has a molecular weight of 307.30 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-quinolin-5-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 68508529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).