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

Name: 1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₈Cl₂O₃S — CID 102606968

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone
PubChem CID	102606968
Molecular Formula	C₉H₈Cl₂O₃S
Molecular Weight	267.13 g/mol
Exact Mass	265.96
IUPAC Name	1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone
SMILES	O=C(COC1COC1)c1cc(Cl)sc1Cl
InChI	InChI=1S/C9H8Cl2O3S/c10-8-1-6(9(11)15-8)7(12)4-14-5-2-13-3-5/h1,5H,2-4H2
InChIKey	PYZWLNVTUJYAEQ-UHFFFAOYSA-N
XLogP	2.65
TPSA	35.53 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.13
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 102606968 — identifiers, structure, computed properties (public domain)

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