4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one

C12H12FNO3 — CID 79468395

IUPAC4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one
SMILESO=C(CN1CCOCC1=O)c1cccc(F)c1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-2-9(6-10)11(15)7-14-4-5-17-8-12(14)16/h1-3,6H,4-5,7-8H2
InChIKeyPFXGHUREMJXUTN-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.87
Rot. Bonds3

About 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one

4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one (PubChem CID 79468395) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one
PubChem CID79468395
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one
SMILESO=C(CN1CCOCC1=O)c1cccc(F)c1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-2-9(6-10)11(15)7-14-4-5-17-8-12(14)16/h1-3,6H,4-5,7-8H2
InChIKeyPFXGHUREMJXUTN-UHFFFAOYSA-N
XLogP0.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one 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

4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 100720986
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
3-[5-fluoro-2-[(3-oxomorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 79468265
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
3-[2-(3-fluorophenyl)-2-oxoethyl]-1,3-thiazinane-2,4-dione
CID 113382313
1-[2-(3-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023260
3-(dimethylamino)-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
CID 110743626
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
1-(3-fluorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997006
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538299

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one?
The IUPAC name of 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one (CID 79468395) is 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one?
The canonical SMILES for 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one is O=C(CN1CCOCC1=O)c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one?
The InChIKey is PFXGHUREMJXUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-10-3-1-2-9(6-10)11(15)7-14-4-5-17-8-12(14)16/h1-3,6H,4-5,7-8H2.
What are the key properties of 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one?
4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one has a molecular weight of 237.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one is sourced from PubChem (CID 79468395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).