1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone

C13H9FO2S — CID 2740073

IUPAC1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone
SMILESCC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C13H9FO2S/c1-7(15)12-4-8-6-16-11-3-2-9(14)5-10(11)13(8)17-12/h2-5H,6H2,1H3
InChIKeyQQWRHWHSRGEJIE-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.65
Rot. Bonds1

About 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone

1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone (PubChem CID 2740073) has the molecular formula C13H9FO2S and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone
PubChem CID2740073
Molecular FormulaC13H9FO2S
Molecular Weight248.28 g/mol
Exact Mass248.03
IUPAC Name1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone
SMILESCC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C13H9FO2S/c1-7(15)12-4-8-6-16-11-3-2-9(14)5-10(11)13(8)17-12/h2-5H,6H2,1H3
InChIKeyQQWRHWHSRGEJIE-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone?
The IUPAC name of 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone (CID 2740073) is 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone.
What is the SMILES notation for 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone?
The canonical SMILES for 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone is CC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2.
What is the InChIKey of 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone?
The InChIKey is QQWRHWHSRGEJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2S/c1-7(15)12-4-8-6-16-11-3-2-9(14)5-10(11)13(8)17-12/h2-5H,6H2,1H3.
What are the key properties of 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone?
1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone has a molecular weight of 248.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethanone is sourced from PubChem (CID 2740073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).