2,2-dichloro-1-thiophen-2-ylethanone

C6H4Cl2OS — CID 11084758

IUPAC2,2-dichloro-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(Cl)Cl
InChIInChI=1S/C6H4Cl2OS/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H
InChIKeyYWQRBUWWNDNQBI-UHFFFAOYSA-N
MW195.07 g/mol
LogP2.73
Rot. Bonds2

About 2,2-dichloro-1-thiophen-2-ylethanone

2,2-dichloro-1-thiophen-2-ylethanone (PubChem CID 11084758) has the molecular formula C6H4Cl2OS and a molecular weight of 195.07 g/mol. Its IUPAC name is 2,2-dichloro-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2,2-dichloro-1-thiophen-2-ylethanone
PubChem CID11084758
Molecular FormulaC6H4Cl2OS
Molecular Weight195.07 g/mol
Exact Mass193.94
IUPAC Name2,2-dichloro-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(Cl)Cl
InChIInChI=1S/C6H4Cl2OS/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H
InChIKeyYWQRBUWWNDNQBI-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-thiophen-2-ylethanone?
The IUPAC name of 2,2-dichloro-1-thiophen-2-ylethanone (CID 11084758) is 2,2-dichloro-1-thiophen-2-ylethanone.
What is the SMILES notation for 2,2-dichloro-1-thiophen-2-ylethanone?
The canonical SMILES for 2,2-dichloro-1-thiophen-2-ylethanone is O=C(c1cccs1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-thiophen-2-ylethanone?
The InChIKey is YWQRBUWWNDNQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2OS/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H.
What are the key properties of 2,2-dichloro-1-thiophen-2-ylethanone?
2,2-dichloro-1-thiophen-2-ylethanone has a molecular weight of 195.07 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-thiophen-2-ylethanone is sourced from PubChem (CID 11084758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).