6-fluoro-3-morpholin-4-ylthiochromen-4-one

C13H12FNO2S — CID 7552859

IUPAC6-fluoro-3-morpholin-4-ylthiochromen-4-one
SMILESO=c1c(N2CCOCC2)csc2ccc(F)cc12
InChIInChI=1S/C13H12FNO2S/c14-9-1-2-12-10(7-9)13(16)11(8-18-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyZOGJUIFRONLFFS-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.24
Rot. Bonds1

About 6-fluoro-3-morpholin-4-ylthiochromen-4-one

6-fluoro-3-morpholin-4-ylthiochromen-4-one (PubChem CID 7552859) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-fluoro-3-morpholin-4-ylthiochromen-4-one.

Molecular Properties

Compound Name6-fluoro-3-morpholin-4-ylthiochromen-4-one
PubChem CID7552859
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name6-fluoro-3-morpholin-4-ylthiochromen-4-one
SMILESO=c1c(N2CCOCC2)csc2ccc(F)cc12
InChIInChI=1S/C13H12FNO2S/c14-9-1-2-12-10(7-9)13(16)11(8-18-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyZOGJUIFRONLFFS-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-morpholin-4-ylthiochromen-4-one?
The IUPAC name of 6-fluoro-3-morpholin-4-ylthiochromen-4-one (CID 7552859) is 6-fluoro-3-morpholin-4-ylthiochromen-4-one.
What is the SMILES notation for 6-fluoro-3-morpholin-4-ylthiochromen-4-one?
The canonical SMILES for 6-fluoro-3-morpholin-4-ylthiochromen-4-one is O=c1c(N2CCOCC2)csc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-3-morpholin-4-ylthiochromen-4-one?
The InChIKey is ZOGJUIFRONLFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-9-1-2-12-10(7-9)13(16)11(8-18-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of 6-fluoro-3-morpholin-4-ylthiochromen-4-one?
6-fluoro-3-morpholin-4-ylthiochromen-4-one has a molecular weight of 265.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-morpholin-4-ylthiochromen-4-one is sourced from PubChem (CID 7552859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).