1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone

C14H17F2NO3 — CID 116685700

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2ccccc2OC(F)F)N1
InChIInChI=1S/C14H17F2NO3/c1-9-7-19-8-10(17-9)6-12(18)11-4-2-3-5-13(11)20-14(15)16/h2-5,9-10,14,17H,6-8H2,1H3
InChIKeySTZHFMGUWIJPJW-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone

1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone (PubChem CID 116685700) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone
PubChem CID116685700
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2ccccc2OC(F)F)N1
InChIInChI=1S/C14H17F2NO3/c1-9-7-19-8-10(17-9)6-12(18)11-4-2-3-5-13(11)20-14(15)16/h2-5,9-10,14,17H,6-8H2,1H3
InChIKeySTZHFMGUWIJPJW-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-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-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone
CID 114969252
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326
1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685377
1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 113274119
[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43338849
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone (CID 116685700) is 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone is CC1COCC(CC(=O)c2ccccc2OC(F)F)N1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone?
The InChIKey is STZHFMGUWIJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-9-7-19-8-10(17-9)6-12(18)11-4-2-3-5-13(11)20-14(15)16/h2-5,9-10,14,17H,6-8H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone?
1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone has a molecular weight of 285.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone is sourced from PubChem (CID 116685700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).