2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone

C10H10Cl2OS — CID 103162435

IUPAC2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(CC1CCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2OS/c11-9-5-7(10(12)14-9)8(13)4-6-2-1-3-6/h5-6H,1-4H2
InChIKeyLFPHXCXRVXPYPZ-UHFFFAOYSA-N
MW249.16 g/mol
LogP4.43
Rot. Bonds3

About 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone

2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone (PubChem CID 103162435) has the molecular formula C10H10Cl2OS and a molecular weight of 249.16 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone
PubChem CID103162435
Molecular FormulaC10H10Cl2OS
Molecular Weight249.16 g/mol
Exact Mass247.98
IUPAC Name2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(CC1CCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2OS/c11-9-5-7(10(12)14-9)8(13)4-6-2-1-3-6/h5-6H,1-4H2
InChIKeyLFPHXCXRVXPYPZ-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone (CID 103162435) is 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone is O=C(CC1CCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
The InChIKey is LFPHXCXRVXPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2OS/c11-9-5-7(10(12)14-9)8(13)4-6-2-1-3-6/h5-6H,1-4H2.
What are the key properties of 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone has a molecular weight of 249.16 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone is sourced from PubChem (CID 103162435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).