1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone

C9H8Cl2O3S — CID 102606968

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone
SMILESO=C(COC1COC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2O3S/c10-8-1-6(9(11)15-8)7(12)4-14-5-2-13-3-5/h1,5H,2-4H2
InChIKeyPYZWLNVTUJYAEQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.65
Rot. Bonds4

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

1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone (PubChem CID 102606968) has the molecular formula C9H8Cl2O3S and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone
PubChem CID102606968
Molecular FormulaC9H8Cl2O3S
Molecular Weight267.13 g/mol
Exact Mass265.96
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone
SMILESO=C(COC1COC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2O3S/c10-8-1-6(9(11)15-8)7(12)4-14-5-2-13-3-5/h1,5H,2-4H2
InChIKeyPYZWLNVTUJYAEQ-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone (CID 102606968) is 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone is O=C(COC1COC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone?
The InChIKey is PYZWLNVTUJYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3S/c10-8-1-6(9(11)15-8)7(12)4-14-5-2-13-3-5/h1,5H,2-4H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone has a molecular weight of 267.13 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone is sourced from PubChem (CID 102606968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).