[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C18H16ClFO3S — CID 2346748

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClFO3S/c19-16-8-7-15(24-16)14(21)11-23-17(22)18(9-3-4-10-18)12-5-1-2-6-13(12)20/h1-2,5-8H,3-4,9-11H2
InChIKeyQHTIXFGKLCWFOX-UHFFFAOYSA-N
MW366.84 g/mol
LogP4.78
Rot. Bonds5

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2346748) has the molecular formula C18H16ClFO3S and a molecular weight of 366.84 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2346748
Molecular FormulaC18H16ClFO3S
Molecular Weight366.84 g/mol
Exact Mass366.05
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClFO3S/c19-16-8-7-15(24-16)14(21)11-23-17(22)18(9-3-4-10-18)12-5-1-2-6-13(12)20/h1-2,5-8H,3-4,9-11H2
InChIKeyQHTIXFGKLCWFOX-UHFFFAOYSA-N
XLogP4.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2346748) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QHTIXFGKLCWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFO3S/c19-16-8-7-15(24-16)14(21)11-23-17(22)18(9-3-4-10-18)12-5-1-2-6-13(12)20/h1-2,5-8H,3-4,9-11H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 366.84 g/mol, XLogP of 4.78, 5 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] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2346748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).