1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione

C18H18FNO3S — CID 46579199

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC(c2ccc(F)cc2)C1)c1cccs1
InChIInChI=1S/C18H18FNO3S/c19-14-5-3-13(4-6-14)16-12-20(9-10-23-16)18(22)8-7-15(21)17-2-1-11-24-17/h1-6,11,16H,7-10,12H2
InChIKeyGIWNAZJERSOLCU-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.45
Rot. Bonds5

About 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione

1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 46579199) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
PubChem CID46579199
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCOC(c2ccc(F)cc2)C1)c1cccs1
InChIInChI=1S/C18H18FNO3S/c19-14-5-3-13(4-6-14)16-12-20(9-10-23-16)18(22)8-7-15(21)17-2-1-11-24-17/h1-6,11,16H,7-10,12H2
InChIKeyGIWNAZJERSOLCU-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione (CID 46579199) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione is O=C(CCC(=O)N1CCOC(c2ccc(F)cc2)C1)c1cccs1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is GIWNAZJERSOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-14-5-3-13(4-6-14)16-12-20(9-10-23-16)18(22)8-7-15(21)17-2-1-11-24-17/h1-6,11,16H,7-10,12H2.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione?
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 347.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 46579199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).