ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate

C8H14FNO3 — CID 170570621

IUPACethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CF
InChIInChI=1S/C8H14FNO3/c1-3-10(7(11)5-9)6-8(12)13-4-2/h3-6H2,1-2H3
InChIKeyZSLRAFHOQLPNKV-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.37
Rot. Bonds5

About ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate

ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate (PubChem CID 170570621) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate
PubChem CID170570621
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Nameethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CF
InChIInChI=1S/C8H14FNO3/c1-3-10(7(11)5-9)6-8(12)13-4-2/h3-6H2,1-2H3
InChIKeyZSLRAFHOQLPNKV-UHFFFAOYSA-N
XLogP0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate (CID 170570621) is ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate is CCOC(=O)CN(CC)C(=O)CF.
What is the InChIKey of ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate?
The InChIKey is ZSLRAFHOQLPNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-3-10(7(11)5-9)6-8(12)13-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate?
ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate has a molecular weight of 191.20 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate is sourced from PubChem (CID 170570621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).