[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C18H16ClFO3S — CID 2395774

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClFO3S/c19-16-7-6-15(24-16)14(21)11-23-17(22)18(8-1-2-9-18)12-4-3-5-13(20)10-12/h3-7,10H,1-2,8-9,11H2
InChIKeyQMDNUESNWYAAFE-UHFFFAOYSA-N
MW366.84 g/mol
LogP4.78
Rot. Bonds5

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2395774) 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-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2395774
Molecular FormulaC18H16ClFO3S
Molecular Weight366.84 g/mol
Exact Mass366.05
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClFO3S/c19-16-7-6-15(24-16)14(21)11-23-17(22)18(8-1-2-9-18)12-4-3-5-13(20)10-12/h3-7,10H,1-2,8-9,11H2
InChIKeyQMDNUESNWYAAFE-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-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 2395774) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QMDNUESNWYAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFO3S/c19-16-7-6-15(24-16)14(21)11-23-17(22)18(8-1-2-9-18)12-4-3-5-13(20)10-12/h3-7,10H,1-2,8-9,11H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(3-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-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2395774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).