ethyl 2-[(2-fluorophenyl)methylamino]acetate

C11H14FNO2 — CID 13236075

IUPACethyl 2-[(2-fluorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)8-13-7-9-5-3-4-6-10(9)12/h3-6,13H,2,7-8H2,1H3
InChIKeyCVRNRGBCUKWHCR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.48
Rot. Bonds5

About ethyl 2-[(2-fluorophenyl)methylamino]acetate

ethyl 2-[(2-fluorophenyl)methylamino]acetate (PubChem CID 13236075) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl 2-[(2-fluorophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorophenyl)methylamino]acetate
PubChem CID13236075
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-[(2-fluorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-2-15-11(14)8-13-7-9-5-3-4-6-10(9)12/h3-6,13H,2,7-8H2,1H3
InChIKeyCVRNRGBCUKWHCR-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-fluorophenyl)methylamino]acetate (CID 13236075) is ethyl 2-[(2-fluorophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-fluorophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-fluorophenyl)methylamino]acetate is CCOC(=O)CNCc1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorophenyl)methylamino]acetate?
The InChIKey is CVRNRGBCUKWHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-15-11(14)8-13-7-9-5-3-4-6-10(9)12/h3-6,13H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[(2-fluorophenyl)methylamino]acetate?
ethyl 2-[(2-fluorophenyl)methylamino]acetate has a molecular weight of 211.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorophenyl)methylamino]acetate is sourced from PubChem (CID 13236075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).