1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one

C13H16FNO2 — CID 610348

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-2-13(16)10-3-4-12(11(14)9-10)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3
InChIKeyHTMSWXKDCFWUIM-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.26
Rot. Bonds3

About 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one

1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one (PubChem CID 610348) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one
PubChem CID610348
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-2-13(16)10-3-4-12(11(14)9-10)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3
InChIKeyHTMSWXKDCFWUIM-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Diethylamino)benzaldehyde
CID 67114
4,4'-Bis(diethylamino)benzophenone
CID 66663
2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one
CID 86171
4-Dimethylaminoacetophenone
CID 75037
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
4-(4-Methylpiperazin-1-yl)benzaldehyde
CID 736533
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
4-Morpholinoacetophenone
CID 38362
1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-
CID 22019755
4-Dimethylamino-4'-fluorochalcone
CID 5709047
4-Morpholinobenzophenone
CID 90600
Piperazin-4-ylacetophenone
CID 97269

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one (CID 610348) is 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one is CCC(=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one?
The InChIKey is HTMSWXKDCFWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-2-13(16)10-3-4-12(11(14)9-10)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one?
1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one has a molecular weight of 237.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-morpholin-4-ylphenyl)propan-1-one is sourced from PubChem (CID 610348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).