2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone

C6H2Cl4OS — CID 131075408

IUPAC2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(c1ccc(Cl)s1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl4OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
InChIKeyTZWFPIGQSZKCNJ-UHFFFAOYSA-N
MW263.96 g/mol
LogP3.95
Rot. Bonds1

About 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone

2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 131075408) has the molecular formula C6H2Cl4OS and a molecular weight of 263.96 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID131075408
Molecular FormulaC6H2Cl4OS
Molecular Weight263.96 g/mol
Exact Mass261.86
IUPAC Name2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(c1ccc(Cl)s1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl4OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
InChIKeyTZWFPIGQSZKCNJ-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.96
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloro-1-(5-chlorothiophen-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

Related Compounds

3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
CID 116573539
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
(5-chlorothiophen-2-yl)-[(2R,3S)-3-(trichloromethyl)oxiran-2-yl]methanone
CID 840272
2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
CID 116556943
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 82117947
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
(5-chlorothiophen-2-yl)-pyrrol-1-ylmethanone
CID 146163932
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone (CID 131075408) is 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone is O=C(c1ccc(Cl)s1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is TZWFPIGQSZKCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H.
What are the key properties of 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone?
2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 263.96 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 131075408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).