ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate

C13H16F2N2O3 — CID 71164845

IUPACethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C13H16F2N2O3/c1-2-20-12(18)13(14,15)11-4-3-10(9-16-11)17-5-7-19-8-6-17/h3-4,9H,2,5-8H2,1H3
InChIKeyNYGHJIAPAVSFAH-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate

ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate (PubChem CID 71164845) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate
PubChem CID71164845
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Nameethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C13H16F2N2O3/c1-2-20-12(18)13(14,15)11-4-3-10(9-16-11)17-5-7-19-8-6-17/h3-4,9H,2,5-8H2,1H3
InChIKeyNYGHJIAPAVSFAH-UHFFFAOYSA-N
XLogP1.57
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)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 ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate (CID 71164845) is ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate is CCOC(=O)C(F)(F)c1ccc(N2CCOCC2)cn1.
What is the InChIKey of ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate?
The InChIKey is NYGHJIAPAVSFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-2-20-12(18)13(14,15)11-4-3-10(9-16-11)17-5-7-19-8-6-17/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate?
ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate has a molecular weight of 286.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(5-morpholin-4-yl-2-pyridinyl)acetate is sourced from PubChem (CID 71164845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).