3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one

C18H20FNO2S — CID 71510686

IUPAC3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1CN(C(=O)CC(c2ccc(F)cc2)c2cccs2)CCO1
InChIInChI=1S/C18H20FNO2S/c1-13-12-20(8-9-22-13)18(21)11-16(17-3-2-10-23-17)14-4-6-15(19)7-5-14/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyGCHOIQIUUMAOPM-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.66
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one

3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 71510686) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID71510686
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1CN(C(=O)CC(c2ccc(F)cc2)c2cccs2)CCO1
InChIInChI=1S/C18H20FNO2S/c1-13-12-20(8-9-22-13)18(21)11-16(17-3-2-10-23-17)14-4-6-15(19)7-5-14/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyGCHOIQIUUMAOPM-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 71510684
3-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 71510824
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 110354740
3-(1,3-benzodioxol-5-yl)-1-(3-methylpiperazin-4-id-1-yl)-3-thiophen-2-ylpropan-1-one;rubidium(1+)
CID 144552270
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
(3S,4S)-1-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120903
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one (CID 71510686) is 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one is CC1CN(C(=O)CC(c2ccc(F)cc2)c2cccs2)CCO1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is GCHOIQIUUMAOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13-12-20(8-9-22-13)18(21)11-16(17-3-2-10-23-17)14-4-6-15(19)7-5-14/h2-7,10,13,16H,8-9,11-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one?
3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 333.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 71510686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).