[1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate

C14H15F2NO4 — CID 3781514

IUPAC[1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2NO4/c1-9(18)21-13(12-10(15)3-2-4-11(12)16)14(19)17-5-7-20-8-6-17/h2-4,13H,5-8H2,1H3
InChIKeyVRFMERBSLPBMGF-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.43
Rot. Bonds3

About [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate

[1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate (PubChem CID 3781514) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate.

Molecular Properties

Compound Name[1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate
PubChem CID3781514
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name[1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2NO4/c1-9(18)21-13(12-10(15)3-2-4-11(12)16)14(19)17-5-7-20-8-6-17/h2-4,13H,5-8H2,1H3
InChIKeyVRFMERBSLPBMGF-UHFFFAOYSA-N
XLogP1.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate 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-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate?
The IUPAC name of [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate (CID 3781514) is [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate.
What is the SMILES notation for [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate?
The canonical SMILES for [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate is CC(=O)OC(C(=O)N1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate?
The InChIKey is VRFMERBSLPBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-9(18)21-13(12-10(15)3-2-4-11(12)16)14(19)17-5-7-20-8-6-17/h2-4,13H,5-8H2,1H3.
What are the key properties of [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate?
[1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate has a molecular weight of 299.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl] acetate is sourced from PubChem (CID 3781514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).