[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C14H10ClFO3S — CID 2411598

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H10ClFO3S/c15-13-6-5-12(20-13)11(17)8-19-14(18)7-9-3-1-2-4-10(9)16/h1-6H,7-8H2
InChIKeyBRMVKLRAKHKPEV-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.51
Rot. Bonds5

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2411598) has the molecular formula C14H10ClFO3S and a molecular weight of 312.75 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2411598
Molecular FormulaC14H10ClFO3S
Molecular Weight312.75 g/mol
Exact Mass312.00
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H10ClFO3S/c15-13-6-5-12(20-13)11(17)8-19-14(18)7-9-3-1-2-4-10(9)16/h1-6H,7-8H2
InChIKeyBRMVKLRAKHKPEV-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.51
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] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2411598) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is BRMVKLRAKHKPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3S/c15-13-6-5-12(20-13)11(17)8-19-14(18)7-9-3-1-2-4-10(9)16/h1-6H,7-8H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 312.75 g/mol, XLogP of 3.51, 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] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2411598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).