1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone

C12H13F2NO2 — CID 81465797

IUPAC1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO2/c13-8-1-2-10(11(14)5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeyUHKZSMLVMYXZDN-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.53
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone

1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone (PubChem CID 81465797) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
PubChem CID81465797
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2NO2/c13-8-1-2-10(11(14)5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2
InChIKeyUHKZSMLVMYXZDN-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone 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-(2,4-difluorophenyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone (CID 81465797) is 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone is O=C(CC1COCCN1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone?
The InChIKey is UHKZSMLVMYXZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-8-1-2-10(11(14)5-8)12(16)6-9-7-17-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone?
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone has a molecular weight of 241.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 81465797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).