ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate

C12H16FNO3 — CID 117108833

IUPACethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(F)cc1N(C)C
InChIInChI=1S/C12H16FNO3/c1-4-17-12(16)11(15)9-6-5-8(13)7-10(9)14(2)3/h5-7,11,15H,4H2,1-3H3
InChIKeyBRPRFGWUNDFLDO-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.49
Rot. Bonds4

About ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate

ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate (PubChem CID 117108833) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate
PubChem CID117108833
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(F)cc1N(C)C
InChIInChI=1S/C12H16FNO3/c1-4-17-12(16)11(15)9-6-5-8(13)7-10(9)14(2)3/h5-7,11,15H,4H2,1-3H3
InChIKeyBRPRFGWUNDFLDO-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate 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

ethyl 2-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108849
ethyl 2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]pentanoate
CID 83043681
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073267
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
ethyl 3-(4-fluoro-2-methylphenyl)-2-hydroxypropanoate
CID 114346916
ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
CID 15446383
ethyl 3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866682
ethyl 2-[(2-bromo-4-fluorophenyl)-hydroxymethyl]pentanoate
CID 114060845

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate (CID 117108833) is ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(F)cc1N(C)C.
What is the InChIKey of ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate?
The InChIKey is BRPRFGWUNDFLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-4-17-12(16)11(15)9-6-5-8(13)7-10(9)14(2)3/h5-7,11,15H,4H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate?
ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate has a molecular weight of 241.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate is sourced from PubChem (CID 117108833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).