2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone

C13H16FNO3 — CID 81209303

IUPAC2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCOC(CO)C1
InChIInChI=1S/C13H16FNO3/c14-11-3-1-2-10(6-11)7-13(17)15-4-5-18-12(8-15)9-16/h1-3,6,12,16H,4-5,7-9H2
InChIKeyLVUYEVUSBOGXEX-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.59
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone

2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 81209303) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID81209303
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCOC(CO)C1
InChIInChI=1S/C13H16FNO3/c14-11-3-1-2-10(6-11)7-13(17)15-4-5-18-12(8-15)9-16/h1-3,6,12,16H,4-5,7-9H2
InChIKeyLVUYEVUSBOGXEX-UHFFFAOYSA-N
XLogP0.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone 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

1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 81196890
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125024352
2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983401
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
2-(3-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81208010
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506
1-[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-(3-fluorophenyl)ethanone
CID 97377913
2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 81209303) is 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCOC(CO)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is LVUYEVUSBOGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-3-1-2-10(6-11)7-13(17)15-4-5-18-12(8-15)9-16/h1-3,6,12,16H,4-5,7-9H2.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 253.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 81209303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).