ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate

C13H17F2NO4 — CID 60796064

IUPACethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(OC(F)F)c(OCC)c1
InChIInChI=1S/C13H17F2NO4/c1-3-18-10-7-8(11(16)12(17)19-4-2)5-6-9(10)20-13(14)15/h5-7,11,13H,3-4,16H2,1-2H3
InChIKeyHTNOLNGOPHEPDE-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.25
Rot. Bonds7

About ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate

ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate (PubChem CID 60796064) has the molecular formula C13H17F2NO4 and a molecular weight of 289.28 g/mol. Its IUPAC name is ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate
PubChem CID60796064
Molecular FormulaC13H17F2NO4
Molecular Weight289.28 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(OC(F)F)c(OCC)c1
InChIInChI=1S/C13H17F2NO4/c1-3-18-10-7-8(11(16)12(17)19-4-2)5-6-9(10)20-13(14)15/h5-7,11,13H,3-4,16H2,1-2H3
InChIKeyHTNOLNGOPHEPDE-UHFFFAOYSA-N
XLogP2.25
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]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-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate?
The IUPAC name of ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate (CID 60796064) is ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate.
What is the SMILES notation for ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate?
The canonical SMILES for ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate is CCOC(=O)C(N)c1ccc(OC(F)F)c(OCC)c1.
What is the InChIKey of ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate?
The InChIKey is HTNOLNGOPHEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO4/c1-3-18-10-7-8(11(16)12(17)19-4-2)5-6-9(10)20-13(14)15/h5-7,11,13H,3-4,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate?
ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate has a molecular weight of 289.28 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate is sourced from PubChem (CID 60796064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).