1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone

C14H9ClFNOS — CID 82791761

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(F)cccc21)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClFNOS/c15-14-5-4-13(19-14)12(18)8-17-7-6-9-10(16)2-1-3-11(9)17/h1-7H,8H2
InChIKeyUTKXZICSRSIOMM-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.38
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone (PubChem CID 82791761) has the molecular formula C14H9ClFNOS and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone
PubChem CID82791761
Molecular FormulaC14H9ClFNOS
Molecular Weight293.75 g/mol
Exact Mass293.01
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(F)cccc21)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClFNOS/c15-14-5-4-13(19-14)12(18)8-17-7-6-9-10(16)2-1-3-11(9)17/h1-7H,8H2
InChIKeyUTKXZICSRSIOMM-UHFFFAOYSA-N
XLogP4.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone (CID 82791761) is 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone is O=C(Cn1ccc2c(F)cccc21)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone?
The InChIKey is UTKXZICSRSIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNOS/c15-14-5-4-13(19-14)12(18)8-17-7-6-9-10(16)2-1-3-11(9)17/h1-7H,8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone has a molecular weight of 293.75 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone is sourced from PubChem (CID 82791761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).