ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate

C7H12FNO3 — CID 86634927

IUPACethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CCF
InChIInChI=1S/C7H12FNO3/c1-3-12-7(11)6(10)9(2)5-4-8/h3-5H2,1-2H3
InChIKeyNMUSYXKJKMCCQQ-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.02
Rot. Bonds3

About ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate

ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate (PubChem CID 86634927) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate
PubChem CID86634927
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Nameethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CCF
InChIInChI=1S/C7H12FNO3/c1-3-12-7(11)6(10)9(2)5-4-8/h3-5H2,1-2H3
InChIKeyNMUSYXKJKMCCQQ-UHFFFAOYSA-N
XLogP-0.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate (CID 86634927) is ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(C)CCF.
What is the InChIKey of ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate?
The InChIKey is NMUSYXKJKMCCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-3-12-7(11)6(10)9(2)5-4-8/h3-5H2,1-2H3.
What are the key properties of ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate?
ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate has a molecular weight of 177.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoroethyl(methyl)amino]-2-oxoacetate is sourced from PubChem (CID 86634927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).