1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone

C11H12BrClOS — CID 80531816

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H12BrClOS/c12-11-8(13)6-10(15-11)9(14)5-7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyJKHHTTSJRIHBLI-UHFFFAOYSA-N
MW307.64 g/mol
LogP4.93
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone

1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone (PubChem CID 80531816) has the molecular formula C11H12BrClOS and a molecular weight of 307.64 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone
PubChem CID80531816
Molecular FormulaC11H12BrClOS
Molecular Weight307.64 g/mol
Exact Mass305.95
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H12BrClOS/c12-11-8(13)6-10(15-11)9(14)5-7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyJKHHTTSJRIHBLI-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone (CID 80531816) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone is O=C(CC1CCCC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone?
The InChIKey is JKHHTTSJRIHBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClOS/c12-11-8(13)6-10(15-11)9(14)5-7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone?
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone has a molecular weight of 307.64 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone is sourced from PubChem (CID 80531816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).