1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one

C13H15ClFNO2 — CID 58514104

IUPAC1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H15ClFNO2/c14-12-2-1-10(15)9-11(12)13(17)3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2
InChIKeyYFCJAGHXKRRLGS-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one

1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one (PubChem CID 58514104) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one
PubChem CID58514104
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H15ClFNO2/c14-12-2-1-10(15)9-11(12)13(17)3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2
InChIKeyYFCJAGHXKRRLGS-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one (CID 58514104) is 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is YFCJAGHXKRRLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-12-2-1-10(15)9-11(12)13(17)3-4-16-5-7-18-8-6-16/h1-2,9H,3-8H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one?
1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 271.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 58514104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).