[2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate

C10H9ClO3S — CID 2426078

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClO3S/c11-9-4-3-8(15-9)7(12)5-14-10(13)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyXVPDGFPDYNXDNJ-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.54
Rot. Bonds4

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2426078) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2426078
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClO3S/c11-9-4-3-8(15-9)7(12)5-14-10(13)6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyXVPDGFPDYNXDNJ-UHFFFAOYSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 2346317
1-(5-Chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799428
1-(5-Chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799467
1-(5-Chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 43800942
1-(5-Chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800981
1-(5-Chlorothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-one
CID 66275261
1-(5-Chlorothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanone
CID 66276557
1-(5-Chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanone
CID 82005454
1-(5-Chlorothiophen-2-yl)-2-(2,2-difluoroethoxy)propan-1-one
CID 82006193
1-(5-Chlorothiophen-2-yl)-2-(4,4,4-trifluorobutoxy)ethanone
CID 82789816
1-(5-Chlorothiophen-2-yl)-2-(4,4,4-trifluorobutoxy)propan-1-one
CID 82789974
1-(5-Chlorothiophen-2-yl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82954156

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate (CID 2426078) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is XVPDGFPDYNXDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c11-9-4-3-8(15-9)7(12)5-14-10(13)6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 244.70 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2426078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).