[2-fluoroethyl(methyl)amino] acetate

C5H10FNO2 — CID 87464450

IUPAC[2-fluoroethyl(methyl)amino] acetate
SMILESCC(=O)ON(C)CCF
InChIInChI=1S/C5H10FNO2/c1-5(8)9-7(2)4-3-6/h3-4H2,1-2H3
InChIKeyJOGWEXRXGCJPAM-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.37
Rot. Bonds3

About [2-fluoroethyl(methyl)amino] acetate

[2-fluoroethyl(methyl)amino] acetate (PubChem CID 87464450) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is [2-fluoroethyl(methyl)amino] acetate.

Molecular Properties

Compound Name[2-fluoroethyl(methyl)amino] acetate
PubChem CID87464450
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name[2-fluoroethyl(methyl)amino] acetate
SMILESCC(=O)ON(C)CCF
InChIInChI=1S/C5H10FNO2/c1-5(8)9-7(2)4-3-6/h3-4H2,1-2H3
InChIKeyJOGWEXRXGCJPAM-UHFFFAOYSA-N
XLogP0.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-fluoroethyl(methyl)amino] acetate 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

[methyl(tridecyl)amino] acetate
CID 87650867
2-fluoro-N-methoxy-N-methylethanamine
CID 123460917
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
(diacetyloxyamino) acetate;iron
CID 174751012
CID 159425404
CID 159425404
[(2-chloroacetyl)-methylamino] acetate
CID 87814077
[methyl(propyl)amino] 2-methylbut-2-enoate
CID 174771012
(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
CID 142388492
[2-ethoxyethyl(ethyl)amino] acetate
CID 175476024
alumane;(dihydroxyamino) acetate
CID 174458216
1-[diazonio(ethyl)amino]oxy-1-oxoethane
CID 90943800

Frequently Asked Questions

What is the IUPAC name of [2-fluoroethyl(methyl)amino] acetate?
The IUPAC name of [2-fluoroethyl(methyl)amino] acetate (CID 87464450) is [2-fluoroethyl(methyl)amino] acetate.
What is the SMILES notation for [2-fluoroethyl(methyl)amino] acetate?
The canonical SMILES for [2-fluoroethyl(methyl)amino] acetate is CC(=O)ON(C)CCF.
What is the InChIKey of [2-fluoroethyl(methyl)amino] acetate?
The InChIKey is JOGWEXRXGCJPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-5(8)9-7(2)4-3-6/h3-4H2,1-2H3.
What are the key properties of [2-fluoroethyl(methyl)amino] acetate?
[2-fluoroethyl(methyl)amino] acetate has a molecular weight of 135.14 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoroethyl(methyl)amino] acetate is sourced from PubChem (CID 87464450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).