3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one

C13H15ClFNO2 — CID 139029147

IUPAC3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H15ClFNO2/c14-11-9-10(1-3-12(11)15)2-4-13(17)16-5-7-18-8-6-16/h1,3,9H,2,4-8H2
InChIKeyDGKASJBUFIMSJL-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.27
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one

3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 139029147) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID139029147
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H15ClFNO2/c14-11-9-10(1-3-12(11)15)2-4-13(17)16-5-7-18-8-6-16/h1,3,9H,2,4-8H2
InChIKeyDGKASJBUFIMSJL-UHFFFAOYSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
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3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-morpholin-4-yl-3-phenylpropan-1-one
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3-(3-chloro-4-fluorophenyl)-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122343902
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
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3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
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1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(3-chloro-4-fluorophenyl)propan-1-one
CID 90586669
3-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]propan-1-one
CID 55716469
3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 55496468
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one (CID 139029147) is 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one is O=C(CCc1ccc(F)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is DGKASJBUFIMSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-11-9-10(1-3-12(11)15)2-4-13(17)16-5-7-18-8-6-16/h1,3,9H,2,4-8H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one?
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 271.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 139029147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).