1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone

C12H14FNOS — CID 28787522

IUPAC1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
SMILESCC(=O)c1c(F)cccc1N1CCSCC1
InChIInChI=1S/C12H14FNOS/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4H,5-8H2,1H3
InChIKeyFFIHCOINANIKFA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.58
Rot. Bonds2

About 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone

1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone (PubChem CID 28787522) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
PubChem CID28787522
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
SMILESCC(=O)c1c(F)cccc1N1CCSCC1
InChIInChI=1S/C12H14FNOS/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4H,5-8H2,1H3
InChIKeyFFIHCOINANIKFA-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone
CID 115658685
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
1-[2-fluoro-6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]phenyl]ethanone
CID 125130888
1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride
CID 167936540
1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
1-[2-fluoro-6-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]phenyl]ethanone
CID 60521453
1-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-fluorophenyl]ethanone
CID 26449618

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone (CID 28787522) is 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone is CC(=O)c1c(F)cccc1N1CCSCC1.
What is the InChIKey of 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone?
The InChIKey is FFIHCOINANIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4H,5-8H2,1H3.
What are the key properties of 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone?
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone has a molecular weight of 239.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 28787522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).