(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone

C13H9F3OS — CID 65101484

IUPAC(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2c(F)cc(F)cc2F)c(C)s1
InChIInChI=1S/C13H9F3OS/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5H,1-2H3
InChIKeyMFYDHRJBWQECDM-UHFFFAOYSA-N
MW270.27 g/mol
LogP4.01
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone

(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 65101484) has the molecular formula C13H9F3OS and a molecular weight of 270.27 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID65101484
Molecular FormulaC13H9F3OS
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2c(F)cc(F)cc2F)c(C)s1
InChIInChI=1S/C13H9F3OS/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5H,1-2H3
InChIKeyMFYDHRJBWQECDM-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone 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

2-Acetylbenzothiophene
CID 89805
3-Acetyl-2,5-dimethylthiophene
CID 520191
3-Acetylbenzothiophene
CID 14316
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
2-Benzoylthiophene
CID 67262
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
CID 19891
5-Phenylthiophene-2-carbaldehyde
CID 177053
(2E)-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one
CID 5702653
4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
2-[5-(2-Fluorobenzoyl)-2-thienyl]acetonitrile
CID 2774431
2-Acetyl-3-methylbenzo[b]thiophene
CID 519603
2-Phenyl-1-(2-thienyl)ethanone
CID 687090

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone (CID 65101484) is (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone is Cc1cc(C(=O)c2c(F)cc(F)cc2F)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is MFYDHRJBWQECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3OS/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 270.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 65101484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).