1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

C17H18FNO2S — CID 110663863

IUPAC1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-14-5-3-13(4-6-14)16-12-21-10-9-19(16)17(20)8-7-15-2-1-11-22-15/h1-6,11,16H,7-10,12H2
InChIKeyGCIUABYVCMMQEF-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.42
Rot. Bonds4

About 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110663863) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110663863
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-14-5-3-13(4-6-14)16-12-21-10-9-19(16)17(20)8-7-15-2-1-11-22-15/h1-6,11,16H,7-10,12H2
InChIKeyGCIUABYVCMMQEF-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
2-(2-fluorophenoxy)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663877
1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 129473759
1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 129473760
1-(3-phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663868
2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110663852
1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(1H-indol-3-yl)ethanone
CID 110663792
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (CID 110663863) is 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCOCC1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is GCIUABYVCMMQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-5-3-13(4-6-14)16-12-21-10-9-19(16)17(20)8-7-15-2-1-11-22-15/h1-6,11,16H,7-10,12H2.
What are the key properties of 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 319.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110663863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).