ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate

C12H16FNO3 — CID 54937977

IUPACethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
SMILESCCOC(=O)CNCC(O)c1ccccc1F
InChIInChI=1S/C12H16FNO3/c1-2-17-12(16)8-14-7-11(15)9-5-3-4-6-10(9)13/h3-6,11,14-15H,2,7-8H2,1H3
InChIKeyUSGJIWRZWUIBMV-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.01
Rot. Bonds6

About ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate

ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate (PubChem CID 54937977) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
PubChem CID54937977
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
SMILESCCOC(=O)CNCC(O)c1ccccc1F
InChIInChI=1S/C12H16FNO3/c1-2-17-12(16)8-14-7-11(15)9-5-3-4-6-10(9)13/h3-6,11,14-15H,2,7-8H2,1H3
InChIKeyUSGJIWRZWUIBMV-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
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ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
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3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
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methyl 4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzoate
CID 110887723
ethyl 4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 110887734
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
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ethyl 4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]butanoate
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CID 81380473

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate (CID 54937977) is ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate is CCOC(=O)CNCC(O)c1ccccc1F.
What is the InChIKey of ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate?
The InChIKey is USGJIWRZWUIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-2-17-12(16)8-14-7-11(15)9-5-3-4-6-10(9)13/h3-6,11,14-15H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate?
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate has a molecular weight of 241.26 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate is sourced from PubChem (CID 54937977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).