2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one

C7H5Cl3OS — CID 82117947

IUPAC2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(c1ccc(Cl)s1)C(Cl)CCl
InChIInChI=1S/C7H5Cl3OS/c8-3-4(9)7(11)5-1-2-6(10)12-5/h1-2,4H,3H2
InChIKeyCCURHFMWHTTXPH-UHFFFAOYSA-N
MW243.54 g/mol
LogP3.43
Rot. Bonds3

About 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one

2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 82117947) has the molecular formula C7H5Cl3OS and a molecular weight of 243.54 g/mol. Its IUPAC name is 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID82117947
Molecular FormulaC7H5Cl3OS
Molecular Weight243.54 g/mol
Exact Mass241.91
IUPAC Name2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(c1ccc(Cl)s1)C(Cl)CCl
InChIInChI=1S/C7H5Cl3OS/c8-3-4(9)7(11)5-1-2-6(10)12-5/h1-2,4H,3H2
InChIKeyCCURHFMWHTTXPH-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
CID 131075408
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 64644115
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one (CID 82117947) is 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one is O=C(c1ccc(Cl)s1)C(Cl)CCl.
What is the InChIKey of 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is CCURHFMWHTTXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3OS/c8-3-4(9)7(11)5-1-2-6(10)12-5/h1-2,4H,3H2.
What are the key properties of 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one?
2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 243.54 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 82117947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).